1. Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion, Li, Y; Coropceanu, V; Bredas, JL, Journal of Physical Chemistry Letters, 3, 3325-3329
  2. Intermixing at the Pentacene-Fullerene Bilayer Interface: A Molecular Dynamics Study, Fu, YT; Risko, C; and Bredas, JL, Advanced Materials, 25, 878-882
  3. The Nature of the Aluminum-Aluminum Oxide Interface: A Nanoscale Picture of the Interfacial Structure and Energy-Level Alignment, Kim, EG; Bredas, JL, Organic Electronics, 14, 569-574
  4. Bis(Carbazolyl) Derivatives of Pyrene and Tetrahydropyrene: Synthesis, Structures, Optical Properties, Electrochemistry, and Electroluminescence, Kaafarani, BR; El-Ballouli, AO; Trattnig, R; Fonari, A; Sax, S; Wex, B; Risko, C; Khnayzer, RS; Barlow, S; Patra, D; Timofeeva, T; List, EJW; Bredas, JL; Marder, SR, Journal of Materials Chemistry C, 1, 1638-1650
  5. Structural Dependence of the Optical Properties of Narrow Bandgap Semiconductors with Orthogonal Donor-Acceptor Geometries, Grimm, B; Risko, C; Azoulay, JD; Bredas, JL; Bazan, GC, Chemical Science, 4, 1807-1819
  6. Orientation of Phenylphosphonic Acid Self-Assembled Monolayers on a Transparent Conductive Oxide: A Combined NEXAFS, PM-IRRAS and DFT Study, Gliboff, M; Sang, L; Knesting, KM; Schalnat, MC; Mudalige, A; Ratcliff, EL; Li, H; Sigdel, AK; Giordano, AJ; Berry, JJ; Nordlund, D; Seidler, GT; Bredas, JL; Marder, SR; Pemberton, JE; Ginger, DS, Langmuir, 29, 2166-2174
  7. The Nature of the Aluminum-Aluminum Oxide Interface: A Nanoscale Picture of the Interfacial Structure and Energy-Level Alignment, Kim, EG; Bredas, JL, Organic Electronics, 14, 569-574
  8. Tuning the Electronic and Photophysical Properties of Heteroleptic Iridium (III) Phosphorescent Emitters through Ancillary Ligand Substitution: A Theoretical Perspective, Li, H; Winget, P; Risko, C; Sears, JS; Bredas, JL, Physical Chemistry Chemical Physics, 15, 6293-6302
  9. Understanding the Density Functional Dependence of DFT-Calculated Electronic Couplings in Organic Semiconductors, Sutton, C; Sears, JS; Coropceanu, V; Bredas, JL, Jounral of Physical Chemistry Letters, 4, 919-924
  10. Materials-scale Implications of Solvent and Temperature on [6,6]-phenyl-C61-Butyric Acid Methyl Ester (PCBM): A Theoretical Perspective, Tummala, NR; Mehraeen, S; Fu, YT; Risko, C; Bredas, JL, Advanced Functional Materials, in press,
  11. Molecular Understanding of Organic Solar Cells: The Challenges, Bredas, JL, AIP Proceedings of the "Nobel Symposium on Nanoscale Energy Converters", (Orenas Castle, Sweden, August 2012), 1519, 55-58
  12. Charge-transfer Excitons Steer the Davydov Splitting Mediate Singlet Exciton Fission in Pentacene, Beljonne, D; Yamagata, H; Bredas, JL; Spano, F; Olivier, Y, Physical Review Letters, in press,
  13. Charge Delocalization Through Benzene, Naphthalene and Anthracene Bridges in π-Conjugated Oligomers: An Experimental and Quantum Chemical Study, Fraind, A; Sini, G; Risko, C; Ryzhkov, LR; Bredas, JL; Tovar, JD, Journal of Physical Chemistry B, 117, 6304-6317
  14. Role of Band States and Trap States in the Electrical Properties of Organic Semiconductors: Hopping Versus Mobility Edge Model, Mehraeen, S; Coropceanu, V; Bredas, JL, Physical Review B, in press,
  15. Molecular Electronics: Reflections on Charge Transport, Heimel, G; Bredas, JL, Nature Nanotechnology, 8, 230-231
  16. Nonlocal Electron-Phonon Coupling in Organic Semiconductor Crystals: The Role of Acoustic Lattice Vibrations, Li, Y; Coropceanu, V; Bredas, JL, Journal of Chemical Physics, 138, 204713
  17. Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thieothiophene) [PBTT], Poelking, C; Cho, EK; Malafeev, A; Ivanov, V; Kremer, K; Risko, C; Bredas, JL; Andrienko, D, Physical Chemistry, 117, 1633-1640
  18. A New Class of Cyanine-like Dyes with Large Bond Length Alternation, Ohira, S; Hales, JM; Thorley, KJ; Anderson, HL; Perry, JW; Bredas, JL, Journal of the American Chemical Society, 6, 6099-6101
  19. Intramolecular Reorganization Energy in Zinc Phthalocyanine and its Fluorinated Derivatives: A Joint Experimental and Theoretical Study, da Silva Filho, DA; Coropceanu, V; Gruhn, NE; de Oliveira Neto, PH; Bredas, JL, Chemical Communications, 49, 6069-6071
  20. Rubrene-Based Single Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties, McGarry, KA; Xie, W; Sutton, C; Risko, C; Wu, Y; Yong, VG; Bredas, JL; Frisbie, CD; Douglas, CJ, Chemistry Of Materials, 25, 2254-2263
  21. Benzo[1,2-b:6,5-b'] Dithiophene9dithiazole)-4,5-dione Derivatives: Synthesis, Electronic Properties, Crystal Packing and Charge Transport, Getmanenko, YA; Fonari, M; Risko, C; Sandhu, B; Galan, E; Zhu, L; Tongwa, P; Hwang, DK; Singh, S; Wang, H; Tiwari, SP; Loo, YL; Bredas, JL; Kippelen, B; Timofeeva, T; Marder, SR, Journal Of Materials Chemistry, 1, 1467-1481
  22. Electronic Polarization Effects upon Charge Injection in Oligoacene Molecular Crystals: Description via a Polarizable Force Field, Ryno, SM; Lee, SR; Sears, JS; Risko, C; Bredas JL, Journal Of Physical Chemistry, 117, 13853-13860
  23. Electronic and Charge-Transport Properties of the Au-3(CH3N=COCH3)(3) Crystal: A Density Functional Theory Study, L. Zhu, V. Coropceanu, Y. Yi, B. Chilukuri, T. Cundari, and, J.L. Brédas, Journal of Materials Chemistry C, 4, 2186-2189
  24. Competing Effects of Fluorination on the Orientation of Aromatic and Aliphatic Phosphonic Acid Monolayers on Indium Tin Oxide, M. Gliboff, H. Li, K.M. Knesting, A.J. Giordano, D. Nordlund, G.T. Seidler, J.L. Brédas, S.R. Marder, and D.S. Ginger, Journal of Physical Chemistry C, 117, 15139-15147
  25. Work-function Modification of Au and Ag Surfaces upon Deposition of Methanethiol and Trifluoromethanethiol Self-Assembled Monolayers: Influence of the Choice of the Theoretical Approach and of the Thiol Decomposition Scheme, D. Cornil, H. Li, C. Wood, G. Pourtois, J.L. Brédas, and J. Cornil, Chemphyschem, 14, 2939-2946
  26. Mind the Gap, J.L. Brédas, Material Horizons, 4, 17-19
  27. Vibration-Assisted Crystallization Improves Organic/Dielectric Interface in Organic Thin-Film Transistors, P. J. Diemer, C.R. Lyle, Y. Mei, O.D. Jurchescu, C. Sutton, V. Coropceanu, J.L. Brédas, M.M. Payne, and J.E. Anthony, Advanced Materials, , doi://10.1002/adma.201302838
  28. Design of Organic Chromophores for All-Optical Signal Processing Applications, J.M. Hales, S. Barlow, H. Kim, S. Mukhopadhyay, J.L. Brédas, J.W. Perry, and S.R. Marder, Chemistry Of Materials, , doi://10.1021/cm402893s
  29. Transparent Conducting Oxides of Relevance to Organic Electronics: Electronic Structures of Their Interfaces with Organic Layers: A Theoretical Perspective, H. Li, P. Winget, and J.L. Brédas, Chemistry Of Materials, , doi://10.1021/cm402113k
  30. Design of Polymethine Dyes for All-Optical Switching Applications: Guidance from Theoretical and Computational Studies, R.L. Gieseking, S. Mukhopadhyay, C. Risko, S.R. Marder, and J.L. Brédas, Advanced Materials, , doi://10.1002/adma.201302676
  31. Understanding the Electronic Structure of Isoindigo in Conjugated Systems: A Combined Theoretical and Experimental Approach, L.A. Estrada, R. Stalder, K.A. Abboud, C. Risko, J.L. Brédas, and J.R. Reynolds, Macromolecules, , doi://10.1021/ma4013829
  32. Dipolar Ferrocene and Ruthenocene Second-Order Nonlinear Optical Chromophores: A Time-Dependent Density Functional Theory Investigation of Their Absorption Spectra, S. Salman, J.L. Brédas, S.R. Marder, V. Coropceanu, and S. Barlow, Organometallics, 32, 6061-6068
  33. Triisopropylsilylethynyl-Functionalized Graphene-Like Fragment Semiconductors: Synthesis, Crystal Packing and Density Functional Theory Calculations, L. Zhang, A. Fonari, V. Coropceanu, W. Hu, S. Parkin, J.L. Brédas, and A.L. Briseno, Chemistry-A European Journal, in press,
  34. Nature of the Interfaces Between Stoichiometric and Under-Stoichiometric MoO3 and 4,4′-N,N′- dicarbazolebiphenyl: A Combined Theoretical and Experimental Study, T.A. Papadopoulos, J. Meyer, H. Li, Z. Guan, A. Kahn, and J.L. Brédas, Advanced Functional Materials, , doi://10.1002/adfm.201301466
  35. Structure–Processing–Property Correlations in Solution-processed, Small-molecule, Organic Solar Cells, B.H. Wunsch, M. Rumi, N.R. Tummala, C. Risko, D.Y. Kang, K.X. Steirer, J. Gantz, M. Said, N.R. Armstrong, J.L. Brédas, D. Bucknall, and S.R. Marder, Journal of Materials Chemistry C, 1, 5250-5260
  36. Electronic-Structure Theory of Organic Semiconductors: Charge-Transport Parameters and Metal/Organic Interfaces, V. Coropceanu, H. Li, P. Winget, L. Zhu, and J.L. Brédas, Annual Review of Materials Research, 43, 63-87
  37. Vibronic Coupling in the Ground-State of Oligoacene Cations: The Performance of Range-Separated Hybrid Density Functionals, C. Zhang, V. Coropceanu, J.S. Sears, and J.L. Brédas, Journal Of Physical Chemistry C, in press,
  1. Synthesis, Experimental and Theoretical Characterization, and Field-Effect Transistor Properties of A New Class of Dibenzothiophene Derivatives: From Linear to Cyclic Architectures, Qiao, Y; Wei, Z; Risko, C; Li, H.; Bredas, JL; Xu, W; Zhu, D, Journal Of Materials Chemistry, 22, 1313-1325
  2. Prediction of Remarkable Ambipolar Charge-Transport Characteristics in Organic Mixed-Stack Charge-Transfer Crystals, Zhu, L; Yi, Y; Li, Y; Kim, EG; Coropceanu, V; Bredas, JL, Journal Of The American Chemical Society, 134, 2340-2347
  3. Synthesis and Characterization of Naphthalene Diimide/Diethynylbenzene Copolymers Polymer, Sajoto, T; Tiwari,SP; Li, H; Risko, C; Barlow, S; Zhang, Q; Cho, J; Bredas, JL; Kippelen, B; Marder, SR, Polymer, 53, 1072-1078
  4. Charge-Transport Parameters of Acenedithiophene Crystals: Realization of One-, Two-, or Three-Dimensional Transport Channels through Alkyl and Phenyl Derivatizations, Yi, Y; Zhu, L; Bredas, JL, Journal Of Physical Chemistry C, 116, 5215-5224
  5. The Three-Dimensional Packing Structure and Electronic Properties of Biaxially-Oriented Poly(2,5-Bis(3-Alkylthiophene-2-yl)Thieno[3,2-b]Thiophene) Films, Cho, EK; Risko, C; Kim, D; Gysel, R; Cates Miller, N; Breiby, D; McGehee, M; Toney, M; Kline; Bredas, JL, Journal Of The American Chemical Society, 134, 6177-6190
  6. Impact of Electronic Coupling Symmetry and Planarization on One- and Two-Photon Properties of Triarylamines with One, Two, or Three Diarylboryl Acceptors, Makarov, N; Mukhopadhyay, S; Kada, Y; Bredas, JL; Perry, J; Pron, A; Kivala, M; and Mullen, K, Journal Of Physical Chemistry A, 116, 3781-3793
  7. The Impact of Molecular Orientation on the Photovoltaic Properties of a Phthalocyanine/Fullerene Heterojunction, Rand, BP; Cheyns, D; Vasseur, K; Giebink, NC; Mothy, S; Yi, Y; Coropceanu, V; Beljonne, D; Cornil, J; Bredas, JL; and Genoe, J, Advanced Functional Materials, 22, 2987-2995
  8. A Universal Method to Produce Low-Work Function Electrodes for Organic Electronics, Zhou, Y; Fuentes-Hernandez, C; Shim, J; Meyer, J; Giordano, AJ; Li, H; Winget, P; Papadopoulos, T; Cheun, H; Kim, J; Fenoll, M; Dindar, A; Haske, W; Najafabadi, E; Khan, TM; Sojoudi, H; Barlow, S; Graham, S; Bredas, JL; Marder, SR; Kahn, A; Kippelen, B, Science, 336, 327-332
  9. Oriented Growth of AI2O3:ZnO Nanolaminates for Use as Electron-Selective Electrodes in Inverted Polymer Solar Cells, Cheun, H; Fuentes-Hernandez, C; Shim, J; Fang, Y; Cai, Y; Li, H; Sigdel, AK; Meyer, J; Maibach, J; Dindar, A; Zhou, Y; Berry, JJ; Bredas, JL; Kahn, A; Sandhage, KH; B, Kippelen, Advanced Functional Materials, 22, 1531-1538
  10. Symmetry Effects of Nonlocal Electron-phonon Coupling in Organic Semiconductors, Li, Y; Yi, Y; Coropceanu, V; Bredas, JL, Physical Review B, 85, 245201
  11. Tuning Delocalization in the Radical Cations of 1,4-Bis[4-(diarylamino)styryl]thiophenes, and 2,5-Bis[4-(diarylamino)styryl]pyrroles Through Substituent Effects, Barlow, S; Risko, C; Odom, S; Zheng, S; Coropceanu, V; Beverina, L; Bredas, JL; Marder, SR, Journal Of The American Chemical Society, 134, 10146-10155
  12. Closely Stacked Oligo(phenylene ethynylene)s: Effect of pi-Stacking on the Electronic Properties of Conjugated Chromophores, Jagtap, SP; Mukhopadhyay, S; Coropceanu, V; Brizius, GL; Bredas, JL; Collard, DM, Journal Of The American Chemical Society, 134, 7176-7185
  13. Controlled Conjugated Backbone Twisting for an Increased Open-Circuit Voltage while Having a High Short-Circuit Current in Poly(hexylthiophene) Derivatives, Ko, SW; Hoke, ET; Pandey, L; Hong, SH; Monday, R; Risko, C; Yi, Y; Noriega, R; McGehee, MD; Bredas, JL;, Journal Of The American Chemical Society, 134, 5222-5232
  14. Characterisation of a Dipolar Chromophore with Third-Harmonic Generation Applications in the Near-IR, Getmanenko, YA; Hales, JM; Balu, M; Fu, J; Zojer, E; Kwon, O; Mendez, J; Thayumanavan, S; Walker, G; Zhang, Q; Bunge, SD; Bredas, JL; Hagan, DJ; Van Stryland, EW; Barlow, S; Marder, SR, Journal Of Materials Chemistry, 22, 4371-4382
  15. Silver-Decorated Cylindrical Nanopores: Combining the Third Dimension with Chemical Enhancement for Efficient Trace Chemical Detection with SERS, Kodiyath, R; Papadopoulos, TA; Wang, J; Combs, ZA; Li, H; Brown, RJC; Bredas, JL; Tsukruk, VV, Journal Of Physical Chemistry, 116, 13917-13927
  16. Factors Governing Intercalation of Fullerenes and Other Small Molecules Between the Side chains of Semiconducting Polymers Used in Solar Cells, Cates Miller, N; Cho, EK; Gysel, R; Risko, C; Coropceanu, V; Miller, CE; Sweetnam, S; Sellinger, A; Heeney, M; McCulloch, I; Bredas, JL; Toney, MF; McGehee, MD, Advanced Energy Materials, 2, 1208-1217
  17. Polymethine Dyes for All-optical Swtiching Applications: A Quantum-chemical Characterization of Counter-ion and Aggregation Effects on Third-order Nonlinear Optical Response, Mukhopadhyay, S; Risko, C; Marder, SR; Bredas, JL, Chemical Science, 3, 3103-3112
  18. Synthetic Principles Directing Charge Transport in Low-Band Gap Dithienosilole-Benzothiadiazole Copolymers, Beaujuge, PM; Tsao, HN; Hansen, MR; Amb, CM; Risko, C; Subbiah, J; Choudhury, KR; Mavrinskiy, A; Pisula, W; Bredas, JL; So, F; Mullen, K; Reynolds, JR, Journal Of The American Chemical Society, 134, 8944-8957
  19. Donor-Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical Structure Modifications on the Electronic and Optical Properties, Pandey, L; Risko, C; Norton, JE; Bredas, JL, Macromolecules, 45, 6405-6414
  20. Ultralow Doping in Oganic Semiconductors: Evidence of Trap Filling, Olthof, S; Mohapatra, SK; Mehraeen, S; Barlow, S; Coropceanu, V; Bredas, JL; Marder, SR; Kahn, A, Physical Review Letters, 109, 1076601
  21. Unification of Trap-limited Electron Transport in Semiconducting Polymers, Nicolai, HT; Kruik, M; Wetzelaer, GA; de Boer, B; Campbell, C; Risko, C; Bredas, JL; Blom, PW, Nature Materials, 11, 882-887
  22. Binding Modes of Fluorinated Benzylphosphonic Acids on the Polar ZnO Surface and Impact on Work Function, Wood, C; Li, H; Winget, P; Bredas, JL, Journal Of Physical Chemistry C, 116, 19125-19133
  23. Lowest Excited States and Optical Absorption Spectra of Donor-Acceptor Copolymers for Organic Photovoltaics: A New Picture Emerging from Tuned Long-Range Corrected Density Functionals, Pandey, L; Doiron, C; Sears, JS; Bredas, JL, Physical Chemistry Chemical Physics, 14, 14243-14248
  24. Use of X-Ray Diffraction, Molecular Simulations, and Spectroscopy to Determine the Molecular Packing in a Polymer-Fullerene Biomolecular Crystal, Miller, NC; Cho, Ek; Junk, MJN; Gysel, R; Risko, C; Kim D; Sweetnam, S; Miller, CE; Richter, LJ; Kline, RJ; Heeney, M; McCulloch, I; Zhao, K; Graham, KR; Amassian, A; Acevedo-Feliz, D; Knox, C; Ryan Hansen, M; Dudenko, D; Chmelka, BF; Toney, MF; Bredas, JL; McGehee, MD, Advanced Materials, 24, 6071-6079
  25. A Universal Method to Produce Low-Work Function Electrodes for Organic Electronics, Zhou, YH; Fuentes-Hernandez, C; Shim, J; Meyer, J; Giordano, AJ; Li, H; Winget, P; Papadopoulos, T; Cheun, H; Kim, J; Fenoll, M; Dindar, A; Haske, W; Najafabadi, E; Khan, TM; Sojoudi, H; Barlow, S; Graham, S; Bredas, JL; Marder, SR, Kahn, Kippelen, B, Science, 336, 327-332
  26. On the Relationship Between Bond-Length Alternation and Many-Electron Self-Interaction Error, Koerzdoerfer, T; Parrish, R; Sears, J; Sherrill, CD; Bredas, JL, Journal Of Chemical Physics, 137, 124305
  27. Electronic Structure of Carbazole-based Phosphine Oxides as Ambipolar Host Materials for Deep Blue Electrophosphorescence: A Density Functional Theory Study, Kim, D; Zhu, L; Bredas, JL, Chemistry Of Materials, 24, 2604-2610
  28. Zinc Oxide as a Model Transport Conducting Oxide: A Theoretical and Experimental Study of the Impact of Hydroxylation, Vacancies, Interstitials, and Extrinsic Doping on the Electronic Properties of the Polar ZnO (0002) Surface, Li, H; Schirra, LK; Shim, J; Cheun, J; Cheun, H; Kippelen, B; Monti, OLA; Bredas, JL, Chemistry Of Materials, 24, 3044-3055
  29. Density Functional Theory for the Description of Charge-Transfer Processes at TTF/TCNQ Interfaces, Van Regemoreter, T; Gullaume, M; Sini, G; Sears, JS; Geskin, V; Bredas, JL; Beljonne, D; Cornil, J, Theoretical Chemistry Accounts, 131, 1273-1280
  30. Nonlocal Electron-Phonon Coupling in the Pentacene Crystal: Beyond the Γ-point Approximation, Yi, Y; Coropceanu, V; Bredas, JL, Journal Of Chemical Physics, in press, 164303-1-164303-6
  31. Intrinsic Charge Transport in Single Crystals of Organic Molecular Semiconductors: A Theoretical Perspective, Coropceanu, V; Li, Y; Yi, Y; Zhu, L; Bredas, JL, Mrs Bulletin, 38, 57-64
  32. Assessment of the Performance of Tuned Range-Separated Hybrid Density Functionals in Predicting Accurate Quasiparticle Spectra, Koerzdoerfer, T; Parrish, RM; Marom, N; Sears, JS; Sherrill, CD; Bredas, JL, Physical Review B, 86, 205110-1-205110-9
  33. n-Doping of Organic Electronic Materials Using Air-Stable Organometallics: A Mechanic Study of Reduction by Dimeric Sandwich Compounds, Barlow, S; Guo, S; Mohapatra, SK; Romanov, A; Timofeeva, T; Hardcastle, KI; Kada, Y; Risko, C; Bredas, JL; and Marder, SR, Chemistry-A European Journal, 18, 14760-14772
  34. Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-Dione Derivatives: Synthesis, Electronic Properties, Crystal Packing and Charge Transport, Getmanenko; Fonari, M; Risko, C; Sandhu, B; Galan, E; Zhu, L; Tongwa, P; Hwang, DK; Singh, S; Wang, H; Tiwari, SP; Loo, YL; Bredas, JL; Kippelen, B; Timofeeva, T; Marder, S, Journal of Materials Chemistry C, 1, 1467-1481
  1. A Quantum-Chemical Perspective Into Low Optical-Gap Polymers for Highly-Efficient Organic Solar Cells, Risko, C; McGehee, MD; Bredas, JL, Chemical Science, 2, 1200-1218
  2. Mono and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties, Getmanenko, Y; Risko, C; Tongway, P; Kim, EG; Li, H; Sandhu, B; Tmofeeva, T; Bredas, JL; Marder, SR, Journal of Organic Chemistry, 76, 2660-2671
  3. Dithienopyrrole-Quinoxaline/Pyridopyrazine Donor-Acceptor Polymers: Synthesis and Electrochemical, Optical, Charge-Transport, and Photovoltaic Properties, Zhang, X; Shim, JW; Tiwari, SP; Zhang, Q; Norton, JE; Wu, PT; Barlow, S; Jenekhe, SA; Kippelen, B; Bredas, JL; Marder, SR, Journal of Materials Chemistry, 21, 4971-4982
  4. An Improved Dynamic Monte Carlo Model Coupled with Poisson Equation to Stimulate the Performance of Organic Photovoltaic Devices, Meng, L; Wang, D; Li, Q; Yi, Y; Bredas, JL; Shuai, Z, Journal of Chemical Physics, 134, 124102
  5. Ground-State Electronic Structure in Charge-Transfer Complexes Based on Carbazole and Diarylamine Donors, Bredas, JL; Winget, P, Journal of Physical Chemistry C, 115, 10823-10835
  6. Evaluating the Performance of DFT Functionals in assessing the Interaction Energy and Ground-state Charge Transfer of Donor/acceptor Complexes: Tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) as a Model Case, Sini, G; Sears, JS; Bredas, JL, Journal of Chemical Theory and Computation, 7, 602-609
  7. Comparative Theoretical Study of Exciton-Dissociation and Charge-Recombination Processes in Oligothiophene/Fullerene and Oligothiophene/Perylenediimide Complexes for Organic Solar Cells, Yi, Y; Coropceanu, V; Bredas, JL, Journal of Materials Chemistry, 21, 1479-1486
  8. Preface to the Chemistry of Materials Special Issue on pi-Functional Materials, Bredas, JL; Marder, SR; Reichmanis, E, Chemistry Of Materials, 23, 309
  9. High Efficiency Blue-Green Electrophosphorescent Light-Emitting Devices Using a Bis-Sulfone as Host in the Emitting Layer, Kim, SJ; Kippelen, B; Leroy, J; Zuniga, C; Zhang, Y; Zhu, L; Sears, JS; Barlow, S; Bredas, JL; Marder, SR, Organic Electronics, 12, 1314-1318
  10. The Nature of Singlet Excitons in Oligoacene Molecular Crystals, Yamagata, H; Norton, J; Hontz, E; Olivier, Y; Beljonne, D; Bredas, JL; Silbey, R; Spano, F, Journal Of Chemical Physics, 134, 204703
  11. Electronic and Optical Properties of 4H-Cyclopental[2,1-b center dot 3,4-b’]bithiophene Derivatives and Their 4-Heteroatom-Substituted Analogues: A Joint Theoretical and Experimental Comparison, Barlow, S; Odom, S; Lancaster, K; Getmanenko, YA; Mason, R; Corpceanu, V; Bredas, JL; Marder, SR, Journal Of Physical Chemistry B, 144, 14397-14407
  12. Hexaazatriphenylene (HAT) versus tri-HAT: the Bigger the Better?, Juarez, R; Oliva, MM; Ramos, M; Segura, JL; Aleman, C; Rodriguez-Ropero, F; Curco, D; Montilla, F; Coropceanu, V; Bredas, JL; Qi, Yabing; Kahn, A; Ruiz Delgado, MC; Casado, J; Lopez Navarrete, JT, Chemistry-A European Journal, 17, 10312-10322
  13. Steric Control of the Donor/Acceptor Interface: Implications in Organic Photovoltaic Charge Generation, Holcombe, T; Norton, JE; Rivnay, J; Woo, CH; Goris, L; Piliego, C; Griffini, G; Sellinger, A; Bredas, JL; Salleo, A; Frechet, JM, Journal Of The American Chemical Society, 133, 12106-12114
  14. Solution-Processed Molecular Bis(Naphthalene Diimide) Derivatives with High Electron Mobility, Polander, L; Tiwari, S; Pandey, L; Seifried, B; Zhang, Q; Barlow, S; Risko, C; Bredas, JL; Kippelen, B; Marder, SR, Chemistry Of Materials, 23, 3408-3410
  15. Theoretical Study of Substitution Effects on Molecular Reorganization Energy in Organic Semiconductors, Geng, H; Niu, Y; Peng, Q; Shuai, Z; Coropceanu, V; Bredas, JL, Journal Of Chemical Physics, 135, 104703
  16. Assembly and Characterization of Well-Defined High-Molecular-Weight Poly(p-phenylene) Polymer Brushes, Alonzo, J; Chen, J; Messman, J; Yu, X; Hong, K; Deng, S; Swader, O; Dadmun, M; Ankner, J; Britt, P; Mays, JW; Malagoli, M; Sumpeter, B; Bredas, JL; Kilbey, SM, Chemistry Of Materials, 23, 4367-4374
  17. Design of Efficient Ambipolar Host Materials for Organic Blue Electrophosphorescence: Theoretical Characterization of Hosts Basaed on Carbazole Derivatives, Kim, D; Coropceanu, V; Bredas, JL, Journal Of The American Chemical Society, 133, 17895-17900
  18. Surface Modification of Indium-Tin-Oxide Via Self-Assembly of a Donor-Acceptor Complex: A Density Functional Theory Study, Li, H; Winget, P; Bredas, JL, Advanced Materials, in press,
  19. Benzothiadiazole-Dithienopyrole Donor-Acceptor-Donor and Acceptor-Donor-Acceptor Triads: Synthesis and Optical, Electrochemical, and Charge-Transport Properties, Polander, LE; Pandey, L; Barlow, S; Tiwari, S; Risko, C; Kippelen, B; Bredas, J; Marder, SR, Journal Of Physical Chemistry, 115, 23149-23163
  20. Orbital Instabilities and Triplet States from Time-Dependent Density Functional Theory and Long-Range Corrected Functionals, Sears, JS; Koerzdoerfer, T; Zhang, C; Bredas, JL, Journal Of Chemical Physics, 135, 151103
  21. Theoretical Investigation of Triscarbazole Derivatives as Host Materials for Blue Electrophosphorescence: Effects of Topology, Salman, S; Kim, D; Coropceanu, V; Bredas, JL, Chemistry Of Materials, 23, 5223-5230
  22. Solution-Processed Organic Solar Cells with Power Conversion Efficiencies of 2.5% using Benzothiadiazole/Imide-Based Acceptors, Bloking, J; Han, X; Higgs, Z; Kastrop, J; Pandey, L; Norton, J; Risko, C; Chen, C; Bredas, JL; McGehee, M; Sellinger, A, Chemistry Of Materials, 23, 5484-5490
  23. Long-Range Corrected Hybrid Functionals for π-Conjugated Systems: Dependence of the Range-Separation Parameter on Conjugation Length, Koerzdoerfer, T; Sears, JS; Sutton, C; Bredas, JL, Journal Of Chemical Physics, 135, 204107
  24. Fullerene-Carbene Lewis Acid-Base Adducts, Li, H; Risko, C; Seo, JH; Campbell, C; Wu, G; Bredas, JL; Bazan, GC, Journal Of The American Chemical Society, 133, 12410-12413
  25. Polymers with Carbazole-Oxadiazole Side Chains as Ambipolar Hosts for Phosphorescent Light-Emitting Diodes, Zhang, Y; Zuniga, C; Kim, SJ; Cai, D; Barlow, S; Salman, S; Coropceanu, V; Bredas, JL; Kippelen, B; Marder, SR, Chemistry Of Materials, 23, 4002-4015
  26. Charge Transfer in Molecular Complexes with 2,3,5,6-Tetrafluoro- 7,7,8,8-tetracyanoquinodimethane (F4-TCNQ): A Density Functional Theory Study, Lingyun Zhu, Eung-Gun Kim, Yuanping Yi, and Jean-Luc Brédas, Chemistry Of Materials, 23, 5149-5159
  1. Electronic Processes at Organic-Organic Interfaces: Insight from Modeling and Implications for Opto-Electronic Devices, Beljonne, D; Cornil, J; Muccioli, L; Zannoni, C; Bredas, JL; Castet, F, Chemistry Of Materials, 23, 591-609
  2. Effects of Electronegative Substitution on the Optical and Electronic Properties of Acenes and Diazaacenes, Appleton, AL; Brombosz, SM; Barlow, S; Sears, JS; Bredas, JL; Marder SR; Bunz UHF, Nature Communications, 1, 91
  3. An Error and Efficiency Analysis of Approximations to Møller−Plesset Perturbation Theory, Marshall, MS; Sears, JS; Burns, LA; Bredas, JL; Sherrill, DC, Journal of Chemical Theory and Computation, 6, 3681–3687
  4. Dithienopyrrole-Based Donor-Acceptor Copolymers: Low Gap Materials for Transport, Photovoltaics and Electrochromism, Zhang, X; Steckley, TT; Dasari, RR; Ohira, S; Postcavage, WJ; Tiwari, SP; Coppee, S; Ellinger, S; Barlow, S; Bredas, JL; Kippelen, B; Reynolds, JR; Marder, SR, Journal Of Materials Chemistry, 20, 123-134
  5. Charge-Transfer Localization in Molecularly Doped Thiophene-Based Donor Polymers, Pingel, P; Zhu, LY; Park, KS; Vogel, JO; Janietz, S; Kim, EG; Rabe, JP; Bredas, JL; Koch, N, Journal of Physical Chemistry Letters, 1, 2037-2041
  6. Tuning the Charge-Transport Parameters of Perylene Diimide Single Crystals via End and/or Core Functionalization: A Density Functional Theory Investigation, Ruiz Delgado, MC; Kim, EG; da Silva Filho, DA; Brédas, JL, Journal Of The American Chemical Society, 132, 3375–3387
  7. Regiochemistry of Poly(3-hexylthiophene): Synthesis and Investigation of a Conducting Polymer, Pappenfus, TM; Hermanson, DL; Kohl, SG; Melby, JH; Thoma, LM; Carpenter, NE; da Silva Filho, DA; Bredas, JL, Journal of Chemical Education, 87, 522-525
  8. Electronic Properties of the 2,6-Diiododithieno[3,2-b:2’,3’-d]thiophene Molecule and Crystal: A Joint Experimental and Theoretical Study, Sanchez-Carrera, RS; Odom, SA; Kinnibrugh, TL; Sajoto, T; Kim, EG; Tomofeeva, TV; Barlow, S; Coropceanu, V; Marder, SR; Bredas, JL, Journal Of Physical Chemistry B, 114, 749-755
  9. Phosphine Oxide Derivatives as Hosts for Blue Phosphors: A Joint Theoretical and Experimental Study of Their Electronic Structure, D. Kim, S. Salman, V. Coropceanu, E. Salomon, A.B. Padmaperuma, L.S. Sapochak, A. Kahn, and J.L. Bredas, Chemistry Of Materials, 22, 247-254
  10. Using End Groups to Tune the Linear and Nonlinear Optical Properties of Bis(dioxaborine)-Terminated Polymethine Dyes, Matichak, JD; Hales, JM; Ohira, S; Barlow, S; Jang, SH; Jen, AK-Y; Bredas, JL; Perry, JW; Marder, SR, Chemphyschem, 11, 130-138
  11. Theoretical Study of the Surface Modification of Indium Tin Oxide with Trifluorophenyl Phosphonic Acid Molecules: Impact of Coverage Density and Binding Geometry, Li, H; Paramonov, P; Bredas, JL, Journal Of Materials Chemistry, 20, 2630-2637
  12. A Molybdenum Dithiolene Complex as p-Dopant for Hole-Transport Materials: A Multi-technique Experimental and Theoretical Investigation, Qi, Y; Sajoto, T; Kroger, M; Kandabarow, AM; Barlow, S; Kim, EG; Wielunski, L; Feldman, LC; Bartynski, RA; Bredas, JL; Marder, SR; Kahn, A, Chemistry Of Materials, 22, 524-531
  13. Transition from Tunneling to Hopping Transport in Long, Conjugated Oligo-imine Wires Connected to Metals, Choi, SH; Risko, C; Ruiz Delgado, MC; Kim, BS; Bredas, JL; Frisbie, DC, Journal Of The American Chemical Society, 132, 4358-4368
  14. Design of Polymethine Dyes with Large Third-Order Optical Nonlinearities and Loss Figures of Merit, Hales, JM; Matichak, J; Barlow, S; Ohira, S; Kada, Y; Bredas, JL; Perry, JW; Marder, SR, Science, 327, 1485-1488
  15. On the Interface Dipole at the Pentacene-Fullerene Heterojunction: A Theoretical Study, LInars, M; Beljonne, D; cornil, J; Lancaster, K; Bredas, JL; Verlaak, S; Mityashin, A; Heremans, P; Ide, J; Mereau, R; Aurel, P; Ducasse, L; Castet, F, Journal Of Physical Chemistry C, 114, 3215-3224
  16. Theoretical Characterization of Charge Transport in One-Dimensional Collinear Arrays of Organic Conjugated Molecules, L. Viani, Y. Olivier, S. Athanasopoulos, D.A. da Silva Filho, J. Hulliger, J.L. Brédas, J. Gierschner, and J. Cornil, Chemphyschem, 11, 1062-1068
  17. Charge Transport in Organic Semiconductors: A Multiscale Modelling, , Functional Supramolecular Architectures for Organic Electronics and Nanotechnology, ,
  18. Comparison of Thiophene-Pyrrole Oligomers with Oligothiophenes: A Joint Experiment and Theoretical Investigation of their Structural and Spectroscopic Properties, Oliva, MM; Pappenfus, TM; Melby, JH; Schwaderer, KM; Johnson, JC; McGee, KA; da Silva Filho, DA; Bredas, JL; Casado, J; Lopez Navarrete, JT, Chemistry – A European Journal, 16, 6866-6876
  19. Tuning the Optoelectronic Properties of Vinylene-Linked Donor-acceptor Copolymers for Organic Photovoltaics, Ko, S; Mondal, R; Risko, C; Lee, JK; Hong, S; McGehee, MD; Bredas, JL; Bao, Z, Macromolecules, 43, 6685-6698
  20. Charge-Transport Properties of the Tetraphenylbis(indolo[1,2-a])quinoline and 5,7-Diphenylindolo[1,2-a]quinoline Crystals, Zhu, L; Kim, E; Yi, Y; Ahmed, E; Jenekhe, SA; Coropceanu, V; Bredas, JL, Journal of Physical Chemistry C, 114, 20401-20409
  21. Torsion Potential in Polydiacetylene: Accurate Computations on Oligomers Extrapolated to the Polymer Limit, Sears, JS; Chance, RR; Bredas, JL, Journal of the American Chemical Society, 132, 13313-13319
  22. Thiophene Rich Fused-aromatic Thienopyrazine Acceptor for Donor-acceptor Low Band-gap Polymers for OTFT and Polymer Solar Cell Applications, Mondal, R; Becerril, HA; Verploegen, E; Kim, D; Norton, JE; Ko, S; Nobuyuki, M; Lee, S; Toney, MF; Bredas, JL; McGehee, MD; Bao, Z, Journal of Materials Chemistry, 20, 1485-1488
  23. The Interaction of Charge Carriers with Lattice Vibrations in Oligoacene Crystals, Carrera-Sanchez, R; Paramonov, P; Day, G; Coropceanu, V; Bredas, JL, Journal of the American Chemical Society, 132, 14437-14446
  24. Influence of Structural Dynamics on Polarization Energies in Anthracene Single Crystals, Martinelli, NG; Ide, J; Sanchez-Carrera, RS; Coropceanu, V; Bredas, JL; Ducasse, L; Castet, F; Cornil, J; Beljonne, D, Journal of Physical Chemistry C, 114, 20678-20685
  1. Modification Of The Surface Properties Of Indium Tin Oxide With Benzylphosphonic Acids: A Joint Experimental And Theoretical Study, Hotchkiss, PJ; Li, H; Paramonov, PB; Paniagua, SA; Jones, SC; Armstrong, NR; Brédas, JL; Marder, SR, Advanced Materials, 21, 4496-4501
  2. Electronic Structure Of The Pentacene-Gold Interface: A Density Functional Theory Study, Li, H; Duan, Y; Coropceanu, V; Brédas, JL, Organic Electronics, 10, 1571-1578
  3. Molecular Understanding Of Organic Solar Cells: The Challenges, Brédas, JL; Norton, JE; Cornil, J; Coropceanu, V, Accounts Of Chemical Research, 42, 1691-1699
  4. Exciton Dissociation And Charge-Recombination Processes In Pentacene-C60 Solar Cells: A Theoretical Insight Into The Impact Of Interface Geometry, Yi, Y; Corocpeanu, V; Brédas, JL, Journal Of The American Chemical Society, 131, 15777-15783
  5. Electronic Structure Of Self-Assembled (Fluoro)Methylthiol Monolayers On The Au(111) Surface: Impact Of Fluorination On Coverage Density, Li, H; Duan, YQ; Paramonov, P; Coropceanu, V; Bredas, JL, Journal Of Electron Spectroscopy And Related Phenomena, 174, 70-77
  6. Quantum Dynamics Of The Excited-State Intramolecular Proton Transfer In 2-(2 '-Hydroxyphenyl)Benzothiazole, Kim, J; Wu, YH; Bredas, JL; Batista, VS, Israel Journal Of Chemistry, 49, 187-197
  7. Charge Transport In Oligo Phenylene And Phenylene-Thiophene Nanofibers, Kjelstrup-Hansen, J; Norton, JE; da Silva, DA; Bredas, JL; Rubahn, HG, Organic Electronics, 10, 1228-1234
  8. Porphyrin Dimers: A Theoretical Understanding Of The Impact Of Electronic Coupling Strength On The Two-Photon Absorption Properties, Ohira, S; Bredas, JL, Journal Of Materials Chemistry, 19, 7545-7550
  9. Photophysical Properties Of An Alkyne-Bridged Bis(Zinc Porphyrin)-Perylene Bis(Dicarboximide) Derivative, Odom, SA; Kelley, RF; Ohira, S; Ensley, TR; Huang, C; Padilha, LA; Webster, S; Coropceanu, V; Barlow, S; Hagan, DJ; Van Stryland, EW; Bredas, JL; Anderson, HL; Wasielewski, MR; Marder, SR, Journal Of Physical Chemistry A, 113, 10826-10832
  10. Molecular Design For Improved Photovoltaic Efficiency: Band Gap And Absorption Coefficient Engineering, Mondal, R; Ko, S; Norton, JE; Miyaki, N; Becerril, HA; Verploegen, E; Toney, MF; Bredas, JL; McGehee, MD; Bao, ZN, Journal Of Materials Chemistry, 19, 7195-7197
  11. Influence Of Intermolecular Vibrations On The Electronic Coupling In Organic Semiconductors: The Case Of Anthracene And Perfluoropentacene, Martinelli, NG; Olivier, Y; Athanasopoulos, S; Delgado, MCR; Pigg, KR; da Silva, DA; Sanchez-Carrera, RS; Venuti, E; Della Valle, RG; Bredas, JL; Beljonne, D; Cornil, J, Chemphyschem, 10, 2265-2273
  12. Norbornene-Based Copolymers Containing Platinum Complexes And Bis(Carbazolyl)Benzene Groups In Their Side-Chains, Feng, K; Zuniga, C; Zhang, YD; Kim, D; Barlow, S; Mardert, SR; Bredas, JL; Weck, M, Macromolecules, 42, 6855-6864
  13. Use Of A High Electron-Affinity Molybdenum Dithiolene Complex To P-Dope Hole-Transport Layers, Qi, YB; Sajoto, T; Barlow, S; Kim, EG; Bredas, JL; Marder, SR; Kahn, A, Journal Of The American Chemical Society, 131, 12530
  14. Triplet Excimer Formation In Platinum-Based Phosphors: A Theoretical Study Of The Roles Of Pt-Pt Bimetallic Interactions And Interligand Pi-Pi Interactions, Kim, D; Bredas, JL, Journal Of The American Chemical Society, 131, 11371-11380
  15. Synthesis, Spectroscopy, Nonlinear Optics, And Theoretical Investigations Of Thienylethynyl Octopoles With A Tunable Core, Oliva, MM; Casado, J; Navarrete, JTL; Hennrich, G; van Cleuvenbergen, S; Asselberghs, I; Clays, K; Delgado, MCR; Bredas, JL; de Melo, JSS; De Cola, L, Chemistry-A European Journal, 15, 8223-8234
  16. Electronic Structure And Charge-Transport Parameters Of Functionalized Tetracene Crystals: Impact Of Partial Fluorination And Alkyl Or Alkoxy Derivatization, Salman, S; Delgado, MCR; Coropceanu, V; Bredas, JL, Chemistry Of Materials, 21, 3593-3601
  17. Synthesis Of Acenaphthyl And Phenanthrene Based Fused-Aromatic Thienopyrazine Co-Polymers For Photovoltaic And Thin Film Transistor Applications, Mondal, R; Miyaki, N; Becerril, HA; Norton, JE; Parmer, J; Mayer, AC; Tang, ML; Bredas, JL; McGehee, MD; Bao, ZA, Chemistry Of Materials, 21, 3618-3628
  18. Doping Molecular Wires, Heimel, G; Zojer, E; Romaner, L; Bredas, JL; Stellacci, F, Nano Letters, 9, 2559-2564
  19. Synthesis And Two-Photon Spectrum Of A Bis(Porphyrin)-Substituted Squaraine, Odom, SA; Webster, S; Padilha, LA; Peceli, D; Hu, H; Nootz, G; Chung, SJ; Ohira, S; Matichak, JD; Przhonska, OV; Kachkovski, AD; Barlow, S; Bredas, JL; Anderson, HL; Hagan, DJ; Van Stryland, EW; Marder, SR, Journal Of The American Chemical Society, 131, 7510
  20. A New Class Of Cyanine-Like Dyes With Large Bond-Length Alternation, Ohira, S; Hales, JM; Thorley, KJ; Anderson, HL; Perry, JW; Bredas, JL, Journal Of The American Chemical Society, 131, 6099
  21. A Spray-Processable, Low Bandgap, And Ambipolar Donor-Acceptor Conjugated Polymer, Steckler, TT; Zhang, X; Hwang, J; Honeyager, R; Ohira, S; Zhang, XH; Grant, A; Ellinger, S; Odom, SA; Sweat, D; Tanner, DB; Rinzler, AG; Barlow, S; Bredas, JL; Kippelen, B; Marder, SR; Reynolds, JR, Journal Of The American Chemical Society, 131, 2824
  22. Impact Of Perfluorination On The Charge-Transport Parameters Of Oligoacene Crystals, Delgado, MCR; Pigg, KR; Filho, DADS; Gruhn, NE; Sakamoto, Y; Suzuki, T; Osuna, RM; Casado, J; Hernandez, V; Navarrete, JTL; Martinelli, NG; Cornil, J; Sanchez-Carrera, RS; Coropceanu, V; Bredas, JL, Journal Of The American Chemical Society, 131, 1502-1512
  23. Intramolecular Electron-Transfer Rates In Mixed-Valence Triarylamines: Measurement By Variable-Temperature Esr Spectroscopy And Comparison With Optical Data, Lancaster, K; Odom, SA; Jones, SC; Thayumanavan, S; Marder, SR; Bredas, JL; Coropceanu, V; Barlow, S, Journal Of The American Chemical Society, 131, 1717-1723
  24. The Interaction Of Charge Carriers With Lattice Vibrations In Organic Molecular Semiconductors: Naphthalene As A Case Study, Coropceanu, V; Sanchez-Carrera, RS; Paramonov, P; Day, GM; Bredas, JL, Journal Of Physical Chemistry C, 113, 4679-4686
  25. Organic Photovoltaics, Kippelen, B; Bredas, JL, Energy & Environmental Science, 2, 251-261
  26. Dipolar Second-Order Nonlinear Optical Chromophores Containing Ferrocene, Octamethylferrocene, And Ruthenocene Donors And Strong Pi-Acceptors: Crystal Structures And Comparison Of Pi-Donor Strengths, Kinnibrugh, TL; Salman, S; Getmanenko, YA; Coropceanu, V; Porter, WW; Timofeeva, TV; Matzger, AJ; Bredas, JL; Marder, SR; Barlow, S, Organometallics, 28, 1350-1357
  27. Excitons Surf Along Conjugated Polymer Chains, Bredas, JL; Silbey, R, Science, 323, 348-349
  1. Analysis Of Charge Transport Pathways In Disordered Organic Conductors, Wenzel, W; Kwiatkowski, JJ; Nelson, J; Li, H; Brédas, JL; Lennartz, C, SPIE – The International Society for Optical Engineering, 6999, 699918/1-699918/13
  2. A Theoretical View On Self-Assembled Monolayers In Organic Electronic Devices, Heimel, G; Romaner, L; Zojer, E; Brédas, JL, SPIE – The International Society for Optical Engineering, 6999, 699919/1-699919/12
  3. Electronic Evolution Of Poly(3,4-Ethylenedioxythiophene) (Pedot): From The Isolated Chain To The Pristine And Heavily Doped Crystals, Kim, EG; Bredas, JL, Journal Of The American Chemical Society, 130, 16880-16889
  4. Electronic And Vibronic Contributions To Two-Photon Absorption In Donor-Acceptor-Donor Squaraine Chromophores, Ohira, S; Rudra, I; Schmidt, K; Barlow, S; Chung, SJ; Zhang, Q; Matichak, J; Marder, SR; Bredas, JL, Chemistry-A European Journal, 14, 11082-11091
  5. Simulations Of The Emission Spectra Of Fac-Tris(2-Phenylpyridine) Iridium And Duschinsky Rotation Effects Using The Herman-Kluk Semiclassical Initial Value Representation Method, Wu, YH; Bredas, JL, Journal Of Chemical Physics, 129, 214305
  6. Theoretical Characterization Of The Indium Tin Oxide Surface And Of Its Binding Sites For Adsorption Of Phosphonic Acid Monolayers, Paramonov, PB; Paniagua, SA; Hotchkiss, PJ; Jones, SC; Armstrong, NR; Marder, SR; Bredas, JL, Chemistry Of Materials, 20, 5131-5133
  7. Polarization Energies In Oligoacene Semiconductor Crystals, Norton, JE; Bredas, JL, Journal Of The American Chemical Society, 130, 12377-12384
  8. Charge-Transport Properties Of The 1,4-Diiodobenzene Crystal: A Quantum-Mechanical Study, Sanchez-Carrera, RS; Coropceanu, V; Kim, EG; Bredas, JL, Chemistry Of Materials, 20, 5832-5838
  9. Electronic And Vibronic Interactions At Weakly Bound Organic Interfaces: The Case Of Pentacene On Graphite, Paramonov, PB; Coropceanu, V; Bredas, JL, Physical Review B, 78, 41403
  10. Fluorenyl-Substituted Silole Molecules: Geometric, Electronic, Optical, And Device Properties, Zhan, XW; Haldi, A; Risko, C; Chan, CK; Zhao, W; Timofeeva, TV; Korlyukov, A; Antipin, MY; Montgomery, S; Thompson, E; An, ZS; Domercq, B; Barlow, S; Kahn, A; Kippelen, B; Bredas, JL; Marder, SR, Journal Of Materials Chemistry, 18, 3157-3166
  11. Stabilization Of A Heptamethine Cyanine Dye By Rotaxane Encapsulation, Yau, CMS; Pascu, SI; Odom, SA; Warren, JE; Klotz, EJF; Frampton, MJ; Williams, CC; Coropceanu, V; Kuimova, MK; Phillips, D; Barlow, S; Bredas, JL; Marder, SR; Millar, V; Anderson, HL, Chemical Communications, , 2897-2899
  12. The Interface Energetics Of Self-Assembled Monolayers On Metals, Heimel, G; Romaner, L; Zojer, E; Bredas, JL, Accounts Of Chemical Research, 41, 721-729
  13. Trends In Electron-Vibration And Electronic Interactions In Bis(Dimethylamino) Mixed-Valence Systems: A Joint Experimental And Theoretical Investigation, Risko, C; Coropceanu, V; Barlow, S; Geskin, V; Schmidt, K; Gruhn, NE; Marder, SR; Bredas, JL, Journal Of Physical Chemistry C, 112, 7959-7967
  14. First-Principles Study Of The Geometric And Electronic Structure Of Au-13 Clusters: Importance Of The Prism Motif, Gruber, M; Heimel, G; Romaner, L; Bredas, JL; Zojer, E, Physical Review B, 77, 165411
  15. Simulating Charge Transport In Tris(8-Hydroxyquinoline) Aluminium (Alq3), Kwiatkowski, JJ; Nelson, J; Li, H; Bredas, JL; Wenzel, W; Lennartz, C, Physical Chemistry Chemical Physics, 10, 1852-1858
  16. Cyclometallated Pt(Ii) And Pd(Ii) Complexes With A Trithiacrown Ligand, Janzen, DE; VanDerveer, DG; Mehne, LF; Silva, DAD; Bredas, JL; Grant, GJ, Dalton Transactions, , 1872-1882
  17. Order Of Magnitude Effects Of Thiazole Regioisomerism On The Near-Ir Two-Photon Cross-Sections Of Dipolar Chromophores, Schmidt, K; Leclercq, A; Zojer, E; Lawson, PV; Jang, SH; Barlow, S; Jen, AKY; Marder, SR; Bredas, JL, Advanced Functional Materials, 18, 794-801
  18. Optimizing Organic Photovoltaics Using Tailored Heterojunctions: A Photoinduced Absorption Study Of Oligothiophenes With Low Band Gaps, Schueppel, R; Schmidt, K; Uhrich, C; Schulze, K; Wynands, D; Bredas, JL; Brier, E; Reinold, E; Bu, HB; Baeuerle, P; Maennig, B; Pfeiffer, M; Leo, K, Physical Review B, 77, 85311
  19. Quantum-Chemical Approach To Electronic Coupling: Application To Charge Separation And Charge Recombination Pathways In A Model Molecular Donor-Acceptor System For Organic Solar Cells, Kawatsu, T; Coropceanu, V; Ye, AJ; Bredas, JL, Journal Of Physical Chemistry C, 112, 3429-3433
  20. Experimental And Theoretical Study Of Temperature Dependent Exciton Delocalization And Relaxation In Anthracene Thin Films, Ahn, TS; Muller, AM; Al-Kaysi, RO; Spano, FC; Norton, JE; Beljonne, D; Bredas, JL; Bardeen, CJ, Journal Of Chemical Physics, 128, 54505
  21. Modeling Electron And Hole Transport In Fluoroarene-Oligothiopene Semiconductors: Investigation Of Geometric And Electronic Structure Properties, Koh, SE; Risko, C; da Silva, DA; Kwon, O; Facchetti, A; Bredas, JL; Marks, TJ; Ratner, MA, Advanced Functional Materials, 18, 332-340
  22. Theoretical Characterization Of Titanyl Phthalocyanine As A P-Type Organic Semiconductor: Short Intermolecular Pi-Pi Interactions Yield Large Electronic Couplings And Hole Transport Bandwidths, Norton, JE; Bredas, JL, Journal Of Chemical Physics, 128, 34701
  23. Odd-Even Effects In Self-Assembled Monolayers Of Omega-(Biphenyl-4-Yl)Alkanethiols: A First-Principles Study, Heimel, G; Romaner, L; Bredas, JL; Zojer, E, Langmuir, 24, 474-482
  1. Tailored Heterojunctions For Efficient Thin-Film Organic Solar Cells: A Photoinduced Absorption Study, Schueppel, R; Schmidt, K; Uhrich, C; Schulze, K; Wynands, D; Brédas, JL; Maennig, B; Pfeiffer, M; Leo, K; Brier, E; Reinold, E; Bu, H-B; Baeuerle, P, SPIE - The International Society for Optical Engineering, 6656, 66560G/1-66560G/11
  2. Impact Of Bidirectional Charge Transfer And Molecular Distortions On The Electronic Structure Of A Metal-Organic Interface, Romaner, L; Heimel, G; Bredas, JL; Gerlach, A; Schreiber, F; Johnson, RL; Zegenhagen, J; Duhm, S; Koch, N; Zojer, E, Physical Review Letters, 99, 256801
  3. Intersystem Crossing Processes In Nonplanar Aromatic Heterocyclic Molecules, Schmidt, K; Brovelli, S; Coropceanu, V; Beljonne, D; Cornil, J; Bazzini, C; Caronna, T; Tubino, R; Meinardi, F; Shuai, Z; Bredas, JL, Journal Of Physical Chemistry A, 111, 10490-10499
  4. Electronic And Vibrational Properties Of Nickel Sulfides From First Principles, Wang, JH; Cheng, Z; Bredas, JL; Liu, ML, Journal Of Chemical Physics, 127, 214705
  5. Bis [Bis-(4-Alkoxyphenyl) Amino] Derivatives Of Dithienylethene, Bithiophene, Dithienothiophene And Dithienopyrrole: Palladium-Catalysed Synthesis And Highly Delocalised Radical Cations, Odom, SA; Lancaster, K; Beverina, L; Lefler, KM; Thompson, NJ; Coropceanu, V; Bredas, JL; Marder, SR; Barlow, S, Chemistry-A European Journal, 13, 9637-9646
  6. Charge Transport Parameters Of The Pentathienoacene Crystal, Kim, EG; Coropceanu, V; Gruhn, NE; Sanchez-Carrera, RS; Snoeberger, R; Matzger, AJ; Bredas, JL, Journal Of The American Chemical Society, 129, 13072-13081
  7. Design Of Emission Ratiometric Metal-Ion Sensors With Enhanced Two-Photon Cross Section And Brightness, Sumalekshmy, S; Henary, MM; Siegel, N; Lawson, PV; Wu, Y; Schmidt, K; Bredas, JL; Perry, JW; Fahrni, CJ, Journal Of The American Chemical Society, 129, 11888
  8. Materials for Multiphoton 3D Microfabrication, Marder, SR; Bredas, JL; Perry, JW, Mrs Bulletin, 32, 561-565
  9. Efficient Acceptor Groups For Nlo Chromophores: Competing Inductive And Resonance Contributions In Heterocyclic Acceptors Derived From 2-Dicyanomethylidene-3-Cyano-4,5,5-Trimethyl-2,5-Dihydrofuran, Schmidt, K; Barlow, S; Leclercq, A; Zojer, E; Jang, SH; Marder, SR; Jen, AKY; Bredas, JL, Journal Of Materials Chemistry, 17, 2944-2949
  10. Molecular Modeling Simulations Of The Morphology Of Polyphenylene Dendrimers, Brocorens, P; Lazzaroni, R; Bredas, JL, Journal Of Physical Chemistry B, 111, 9218-9227
  11. Cooperative CH•••π Interactions In The Crystal Structure Of 2,5 Di(3-Biphenyl)-1,1-Dimethyl-3,4-Diphenyl-Silole And Its Effect On Its Electronic Properties, Karle, IL; Butcher, RJ; Wolak, MA; da Silva, DA; Uchida, M; Bredas, JL; Kafafi, ZH, Journal Of Physical Chemistry C, 111, 9543-9547
  12. Ambipolar Transport In Organic Conjugated Material, Cornil, J; Bredas, JL; Zaumseil, J; Sirringhaus, H, Advanced Materials, 19, 1791-1799
  13. Charge Transport In Organic Semiconductors, Coropceanu, V; Cornil, J; da Silva, DA; Olivier, Y; Silbey, R; Bredas, JL, Chemical Reviews, 107, 926-952
  14. Excited State Intramolecular Proton Transfer In 2-(2 '-Arylsulfonamidophenyl)Benzimidazole Derivatives: Insights Into The Origin Of Donor Substituent-Induced Emission Energy Shifts, Wu, YG; Lawson, PV; Henary, MM; Schmidt, K; Bredas, JL; Fahrni, CJ, Journal Of Physical Chemistry A, 111, 4584-4595
  15. First-Principles Theoretical Investigation Of The Electronic Couplings In Single Crystals Of Phenanthroline-Based Organic Semiconductors, Li, H; Bredas, JL; Lennartz, C, Journal Of Chemical Physics, 126, 164704
  16. Hole-Vibronic Coupling In Oligothiophenes: Impact Of Backbone Torsional. Exibility On Relaxation Energies, da Silva, DA; Coropceanu, V; Fichou, D; Gruhn, NE; Bill, TG; Gierschner, J; Cornil, J; Bredas, JL, Philosophical Transactions Of The Royal Society A-Mathematical Physical And Engineering Sciences, 365, 1435-1452
  17. Synthesis, Ionization Potentials And Electron Affinities Of Hexaazatrinaphthylene Derivatives, Barlow, S; Zhang, Q; Kaafarani, BR; Risko, C; Amy, F; Chan, CK; Domercq, B; Starikova, ZA; Antipin, MY; Timofeeva, TV; Kippelen, B; Bredas, JL; Kahn, A; Marder, SR, Chemistry-A European Journal, 13, 3537-3547
  18. Toward Control Of The Metal-Organic Interfacial Electronic Structure In Molecular Electronics: A First-Principles Study On Self-Assembled Monolayers Of Pi-Conjugated Molecules On Noble Metals, Heimel, G; Romaner, L; Zojer, E; Bredas, JL, Nano Letters, 7, 932-940
  19. Photoelectron Spectroscopic Study Of The Electronic Band Structure Of Polyfluorene And Fluorene-Arylamine Copolymers At Interfaces, Hwang, J; Kim, EG; Liu, J; Bredas, JL; Duggal, A; Kahn, A, Journal Of Physical Chemistry C, 111, 1378-1384
  20. High Two-Photon Cross-Sections In Bis(Diarylaminostyryl) Chromophores With Electron-Rich Heterocycle And Bis(Heterocycle)Vinylene Bridges, Zheng, SJ; Beverina, L; Barlow, S; Zojer, E; Fu, J; Padilha, LA; Fink, C; Kwon, O; Yi, YP; Shuai, ZG; Van Stryland, EW; Hagan, DJ; Bredas, JL; Marder, SR, Chemical Communications, , 1372-1374
  21. Control Of Luminescence In Conjugated Polymers Through Control Of Chain Microstructure, Feast, WJ; Cacialli, F; Koch, ATH; Daik, R; Lartigau, C; Friend, RH; Beljonne, D; Bredas, JL, Journal Of Materials Chemistry, 17, 907-912
  22. Comparison Of Static First Hyperpolarizabilities Calculated With Various Quantum Mechanical Methods, Isborn, CM; Leclercq, A; Vila, FD; Dalton, LR; Bredas, JL; Eichinger, BE; Robinson, BH, Journal Of Physical Chemistry A, 111, 1319-1327
  23. Two-Photon Absorption In Quadrupolar Bis(Acceptor)-Terminated Chromophores With Electron-Rich Bis(Heterocycle)Vinylene Bridges, Zheng, SJ; Leclercq, A; Fu, J; Beverina, L; Padilha, LA; Zojer, E; Schmidt, K; Barlow, S; Luo, JD; Jiang, SH; Jen, AKY; Yi, YP; Shuai, ZG; Van Stryland, EW; Hagan, DJ; Bredas, JL; Marder, SR, Chemistry Of Materials, 19, 432-442
  1. Organic Transistors: A Polarized Response, Coropceanu, V; Bredas, JL, Nature Materials, 5, 929-930
  2. Stretching And Breaking Of A Molecular Junction, Romaner, L; Heimel, G; Gruber, M; Bredas, JL; Zojer, E, Small, 2, 1468-1475
  3. Extended Squaraine Dyes With Large Two-Photon Absorption Cross-Sections, Chung, SJ; Zheng, SJ; Odani, T; Beverina, L; Fu, J; Padilha, LA; Biesso, A; Hales, JM; Zhan, XW; Schmidt, K; Ye, AJ; Zojer, E; Barlow, S; Hagan, DJ; Van Stryland, EW; Yi, YP; Shuai, ZG; Pagani, GA; Bredas, JL; Perry, JW; Marder, SR, Journal Of The American Chemical Society, 128, 14444-14445
  4. Organic/Metal Interfaces In Self-Assembled Monolayers Of Conjugated Thiols: A First-Principles Benchmark Study, Heimel, G; Romaner, L; Bredas, JL; Zojer, E, Surface Science, 600, 4548-4562
  5. Comparative Studies Of The Geometric And Electronic Properties Of 1,1-Disubstituted-2,3,4,5-Tetraphenylsiloles And 1,1,2,2-Tetramethyl-3,4,5,6-Tetraphenyl-1,2-Disila-3,5-Cyclohexadiene, Zhan, XW; Risko, C; Korlyukov, A; Sena, F; Timofeeva, TV; Antipin, MY; Barlow, S; Bredas, JL; Marder, SR, Journal Of Materials Chemistry, 16, 3814-3822
  6. A New Class Of Mixed-Valence Systems With Orbitally Degenerate Organic Redox Centers. Examples Based On Hexa-Rhenium Molecular Prisms, Dinolfo, PH; Coropceanu, V; Bredas, JL; Hupp, JT, Journal Of The American Chemical Society, 128, 12592-12593
  7. Vibronic Coupling In The Ground And Excited States Of Oligoacene Cations, Sanchez-Carrera, RS; Coropceanu, V; da Silva, DA; Friedlein, R; Osikowicz, W; Murdey, R; Suess, C; Salaneck, WR; Bredas, JL, Journal Of Physical Chemistry B, 110, 18904-18911
  8. Excited-State Properties And Emission Spectra Of Nonplanar Heterocyclic Helicenes, Schmidt, K; Brovelli, S; Coropceanu, V; Bredas, JL; Bazzini, C; Caronna, T; Tubino, R; Meinardi, F, Journal Of Physical Chemistry A, 110, 11018-11024
  9. Structure-Property Relationships For Multi-Photon Absorption: A Quantum-Chemical Study, Zojer, E; Zhu, LY; Pacher, P; Yi, YP; Shuai, Z; Beljonne, D; Barlow, S; Perry, JW; Marder, SR; Bredas, JL, Abstracts Of Papers Of The American Chemical Society, 231, 30-PMSE
  10. Magnus' Green Salt Revisited: Impact Of Platinum-Platinum Interactions On Electronic Structure And Carrier Mobilities, Kim, EG; Schmidt, K; Caseri, WR; Kreouzis, T; Stingelin-Stutzmann, N; Bredas, JL, Advanced Materials, 18, 2039
  11. Chromophores In Phenylenevinylene-Based Conjugated Polymers: Role Of Conformational Kinks And Chemical Defects, Hennebicq, E; Deleener, C; Bredas, JL; Scholes, GD; Beljonne, D, Journal Of Chemical Physics, 125, 54901
  12. Effect Of Electronic Polarization On Charge-Transport Parameters In Molecular Organic Semiconductors, Valeev, EF; Coropceanu, V; da Silva, DA; Salman, S; Bredas, JL, Journal Of The American Chemical Society, 128, 9882JA061827H-9886
  13. N- And P-Channel Transport Behavior In Thin Film Transistors Based On Tricyanovinyl-Capped Oligothiophenes, Cai, XY; Burand, MW; Newman, CR; da Silva, DA; Pappenfus, TM; Bader, MM; Bredas, JL; Mann, KR; Frisbie, CD, Journal Of Physical Chemistry B, 110, 14590-14597
  14. The Impact Of Symmetric Modes On Intramolecular Electron Transfer: A Semi-Classical Approach, Coropceanu, V; Boldyrev, SI; Risko, C; Bredas, JL, Chemical Physics, 326, 107-114
  15. Synthesis, X-ray, Spectroelectrochemical, And Theoretical Studies Of A Tricyanovinyl-Capped Quaterthiophene: A Correlation Of Semiconductor Performance With Physical Properties, Burand, MW; Mcgee, KA; Cai, XY; Da Silva, DA; Bredas, JL; Frisbie, CD; Mann, KR, Chemical Physics Letters, 425, 251-256
  16. Transient Absorption Spectroscopy And Quantum-Chemical Studies Of Matrix-Isolated Perylene Derivatives, Engel, E; Schmidt, K; Beljonne, D; Bredas, JL; Assa, J; Frob, H; Leo, K; Hoffmann, M, Physical Review B, 73, 245216
  17. Pyrroline Chromophores For Electro-Optics, Jang, SH; Luo, JD; Tucker, NM; Leclercq, A; Zojer, E; Haller, MA; Kim, TD; Kang, JW; Firestone, K; Bale, D; Lao, D; Benedict, JB; Cohen, D; Kaminsky, W; Kahr, B; Bredas, JL; Reid, P; Dalton, LR; Jen, AKY, Chemistry Of Materials, 18, 2982-2988
  18. Pathways For Resonant Energy Transfer In Oligo(Phenylenevinylene)-Fullerene Dyads: An Atomistic Model, Hukka, TI; Toivonen, T; Hennebicq, E; Bredas, JL; Janssen, RAJ; Beljonne, D, Advanced Materials, 18, 1301-1306
  19. Interface Energetics And Level Alignment At Covalent Metal-Molecule Junctions: Pi-Conjugated Thiols On Gold, Heimel, G; Romaner, L; Bredas, JL; Zojer, E, Physical Review Letters, 96, 196806
  20. Probing Charge Transport In Pi-Stacked Fluorene-Based Systems, Coropceanu, V; Nakano, T; Gruhn, NE; Kwon, O; Yade, T; Katsukawa, K; Bredas, JL, Journal Of Physical Chemistry B, 110, 9482-9487
  21. Charge Hopping In Organic Semiconductors: Influence Of Molecular Parameters On Macroscopic Mobilities In Model One-Dimensional Stacks, Olivier, Y; Lemaur, V; Bredas, JL; Cornil, J, Journal Of Physical Chemistry A, 110, 6356-6364
  22. Molecular n-Type Doping Of 1,4,5,8-Naphthalene Tetracarboxylic Dianhydride By Pyronin B Studied Using Direct And Inverse Photoelectron Spectroscopies, Chan, CK; Kim, EG; Bredas, JL; Kahn, A, Advanced Functional Materials, 16, 831-837
  23. Vibronic Coupling In Organic Semiconductors: The Case Of Fused Polycyclic Benzene-Thiophene Structures, Coropceanu, V; Kwon, O; Wex, B; Kaafarani, BR; Gruhn, NE; Durivage, JC; Neckers, DC; Bredas, JL, Chemistry-A European Journal, 12, 2073-2080
  24. Intra- And Intermolecular Proton Transfer In 1H(2H)-1,2,3-Triazole Based Systems, Zhou, Z; Liu, R; Wang, JH; Li, SW; Liu, ML; Bredas, JL, Journal Of Physical Chemistry A, 110, 2322-2324
  25. Isolation And Crystal Structures Of Two Singlet Bis(Triarylamine) Dications With Nonquinoidal Geometries, Zheng, SJ; Barlow, S; Risko, C; Kinnibrugh, TL; Khrustalev, VN; Jones, SC; Antipin, MY; Tucker, NM; Timofeeva, TV; Coropceanu, V; Bredas, JL; Marder, SR, Journal Of The American Chemical Society, 128, 1812-1817
  26. Molecular Origin Of The Temperature-Dependent Energy Migration In A Rigid-Rod Ladder-Phenylene Molecular Host, Wiesenhofer, H; Zojer, E; List, EJW; Scherf, U; Bredas, JL; Beljonne, D, Advanced Materials, 18, 310
  27. Quantum-Chemical Investigation Of Second-Order Nonlinear Optical Chromophores: Comparison Of Strong Nitrile-Based Acceptor End Groups And Role Of Auxiliary Donors And Acceptors, Leclercq, A; Zojer, E; Jang, SH; Barlow, S; Geskin, V; Jen, AKY; Marder, SR; Bredas, JL, Journal Of Chemical Physics, 124, 44510
  1. Charge-Recombination Processes In Oligomer- And Polymer-Based Light- Emitting Diodes: A Molecular Picture, Beljonne, D; Shuai, ZG; Ye, AJ; Bredas, JL, Journal Of The Society For Information Display, 13, 419-427
  2. Intervalence Transitions In The Mixed-Valence Monocations Of Bis(Triarylamines) Linked With Vinylene And Phenylene-Vinylene Bridges, Barlow, S; Risko, C; Chung, SJ; Tucker, NM; Coropceanu, V; Jones, SC; Levi, Z; Bredas, JL; Marder, SR, Journal Of The American Chemical Society, 127, 16900-16911
  3. High Charge-Carrier Mobility In An Amorphous Hexaazatrinaphthylene Derivative, Kaafarani, BR; Kondo, T; Yu, JS; Zhang, Q; Dattilo, D; Risko, C; Jones, SC; Barlow, S; Domercq, B; Amy, F; Kahn, A; Bredas, JL; Kippelen, B; Marder, SR, Journal Of The American Chemical Society, 127, 16358-16359
  4. Impact Of The Computational Method On The Geometric And Electronic Properties Of Oligo(Phenylene Vinylene) Radical Cations, Geskin, VM; Grozema, FC; Siebbeles, LDA; Beljonne, D; Bredas, JL; Cornil, J, Journal Of Physical Chemistry B, 109, 20237-20243
  5. The Conformation Of Amine- And Amide-Terminated Poly(Propylene Imine) Dendrimers As Investigated By Molecular Simulation Methods, Brocorens, P; Lazzaroni, R; Bredas, JL, Journal Of Physical Chemistry B, 109, 19897-19907
  6. Aromatic Amines: A Comparison Of Electron-Donor Strengths, Kwon, O; Barlow, S; Odom, SA; Beverina, L; Thompson, NJ; Zojer, E; Bredas, JL; Marder, SR, Journal Of Physical Chemistry A, 109, 9346-9352
  7. Influence Of Molecular Conformation On Organic/Metal Interface Energetics, Koch, N; Heimel, G; Wu, JS; Zojer, E; Johnson, RL; Bredas, JL; Mullen, K; Rabe, JP, Chemical Physics Letters, 413, 390-395
  8. Borderline Class II/III Ligand-Centered Mixed Valency In A Porphyrinic Molecular Rectangle, Dinolfo, PH; Lee, SJ; Coropceanu, V; Bredas, JL; Hupp, JT, Inorganic Chemistry, 44, 5789-5797
  9. Molecular Dynamics Simulations Of Nanocomposites Based On Poly(ε-caprolactone) Grafted On Montmorillonite Clay, Gardebien, F; Bredas, JL; Lazzaroni, R, Journal Of Physical Chemistry B, 109, 12287-12296
  10. Electron Affinities Of 1,1-Diaryl-2,3,4,5-Tetraphenyisiloles: Direct Measurements And Comparison With Experimental And Theoretical Estimates, Zhan, XW; Risko, C; Amy, F; Chan, C; Zhao, W; Barlow, S; Kahn, A; Bredas, JL; Marder, SR, Journal Of The American Chemical Society, 127, 9021-9029
  11. Electronic Coupling In Tetraanisylarylenediamine Mixed-Valence Systems: The Interplay Between Bridge Energy And Geometric Factors, Lambert, C; Risko, C; Coropceanu, V; Schelter, J; Amthor, S; Gruhn, NE; Durivage, JC; Bredas, JL, Journal Of The American Chemical Society, 127, 8508-8516
  12. Two-Photon Absorption At Telecommunications Wavelengths In A Dipolar Chromophore With A Pyrrole Auxiliary Donor And Thiazole Auxiliary Acceptor, Beverina, L; Fu, J; Leclercq, A; Zojer, E; Pacher, P; Barlow, S; Van Stryland, EW; Hagan, DJ; Bredas, JL; Marder, SR, Journal Of The American Chemical Society, 127, 7282-7283
  13. Colorless Molecular Dopants For Low-Operating-Voltage Nematic Liquid Crystals, Haddock, JN; Kippelen, B; Mathine, DL; Schmidtke, J; Kumaraswamy, S; Marder, SR; Kwon, O; Zojer, E; Bredas, JL; Marder, SR, Molecular Crystals And Liquid Crystals, 428, 17-32
  14. Shallow Trap States In Pentacene Thin Films From Molecular Sliding, Kang, JH; da Silva, D; Bredas, JL; Zhu, XY, Applied Physics Letters, 86, 152115
  15. Bis-Aryl Substituted Dioxaborines As Electron-Transport Materials: A Comparative Density Functional Theory Investigation With Oxadiazoles And Siloles, Risko, C; Zojer, E; Brocorens, P; Marder, SR; Bredas, JL, Chemical Physics, 313, 151-157
  16. Photoinduced Charge Generation And Recombination Dynamics In Model Donor/Acceptor Pairs For Organic Solar Cell Applications: A Full Quantum-Chemical Treatment, Lemaur, V; Steel, M; Beljonne, D; Bredas, JL; Cornil, J, Journal Of The American Chemical Society, 127, 6077-6086
  17. Transport Properties In The Rubrene Crystal: Electronic Coupling And Vibrational Reorganization Energy, da Silva, DA; Kim, EG; Bredas, JL, Advanced Materials, 17, 1072
  18. Effective Conjugation And Raman Intensities In Oligo(Para-Phenylene)S: A Microscopic View From First-Principles Calculations, Heimel, G; Somitsch, D; Knoll, P; Bredas, JL; Zojer, E, Journal Of Chemical Physics, 122, 114511
  19. Exciton Migration In Rigid-Rod Conjugated Polymers: An Improved Forster Model, Hennebicq, E; Pourtois, G; Scholes, GD; Herz, LM; Russell, DM; Silva, C; Setayesh, S; Grimsdale, AC; Mullen, K; Bredas, JL; Beljonne, D, Journal Of The American Chemical Society, 127, 4744-4762
  20. Design Of Pi-Conjugated Organic Materials For One-Dimensional Energy Transport In Nanochannels, Sancho-Garcia, JC; Bredas, JL; Beljonne, D; Cornil, J; Martinez-Alvarez, R; Hanack, M; Poulsen, L; Gierschner, J; Mack, HG; Egelhaaf, HJ; Oelkrug, D, Journal Of Physical Chemistry B, 109, 4872-4880
  21. Electronic Properties Of Silole-Based Organic Semiconductors (Vol 121, Pg 9031, 2004), Risko, C; Kushto, GP; Kafafi, ZH; Bredas, JL, Journal Of Chemical Physics, 122, 99901
  22. Breakdown Of The Mirror Image Symmetry In The Optical Absorption/Emission Spectra Of Oligo(Para-Phenylene)S, Heimel, G; Daghofer, M; Gierschner, J; List, EJW; Grimsdale, AC; Mullen, K; Beljonne, D; Bredas, JL; Zojer, E, Journal Of Chemical Physics, 122, 54501
  23. Comment On 'Polaron Formation And Symmetry Breaking' By L Zuppiroli Et Al., Geskin, VM; Cornil, J; Bredas, JL, Chemical Physics Letters, 403, 228-231
  24. A Mixed-Valence Bis(Diarylamino) Stilbene: Crystal Structure And Comparison Of Electronic Coupling With Biphenyl And Tolane Analogues, Barlow, S; Risko, C; Coropceanu, V; Tucker, NM; Jones, SC; Levi, Z; Khrustalev, VN; Antipin, MY; Kinnibrugh, TL; Timofeeva, T; Marder, SR; Bredas, JL, Chemical Communications, , 764-766
  25. Limitations Of The Forster Description Of Singlet Exciton Migration: The Illustrative Example Of Energy Transfer To Ketonic Defects In Ladder-Type Poly(Para-Phenylenes), Wiesenhofer, H; Beljonne, D; Scholes, GD; Hennebicq, E; Bredas, JL; Zojer, E, Advanced Functional Materials, 15, 155-160
  1. Two-Photon Absorption In Quadrupolar Pi-Conjugated Molecules: Influence Of The Nature Of The Conjugated Bridge And The Donor-Acceptor Separation, Zojer, E; Beljonne, D; Pacher, P; Bredas, JL, Chemistry-A European Journal, 10, 2668-2680
  2. Organic Semi-Conducting Architectures For Supramolecular Electronics, Leclere, P; Surin, M; Jonkheijm, P; Henze, O; Schenning, APHJ; Biscarini, F; Grimsdale, AC; Feast, WJ; Meijer, EW; Mullen, K; Bredas, JL; Lazzaroni, R, European Polymer Journal, 40, 885-892
  3. Joint Theoretical And Experimental Characterization Of The Structural And Electronic Properties Of Poly(Dioctylfluorene-Alt-N-Butylphenyl Diphenylamine), Sancho-Garcia, JC; Foden, CL; Grizzi, I; Greczynski, G; de Jong, MP; Salaneck, WR; Bredas, JL; Cornil, J, Journal Of Physical Chemistry B, 108, 5594-5599
  4. Characterization Of The Molecular Parameters Determining Charge Transport In Anthradithiophene, Kwon, O; Coropceanu, V; Gruhn, NE; Durivage, JC; Laquindanum, JG; Katz, HE; Cornil, J; Bredas, JL, Journal Of Chemical Physics, 120, 8186-8194
  5. Influence Of Contact Geometry And Molecular Derivatization On The Interfacial Interactions Between Gold And Conjugated Wires, Karzazi, Y; Crispin, X; Kwon, O; Bredas, JL; Cornil, J, Chemical Physics Letters, 387, 502-508
  6. Hexaazatriisothianaphthenes: New Electron-Transport Mesogens?, Lehmann, M; Lemaur, V; Cornil, J; Bredas, JL; Goddard, S; Grizzi, I; Geerts, Y, Tetrahedron, 60, 3283-3291
  7. A Multimode Analysis Of The Gas-Phase Photoelectron Spectra In Oligoacenes, Malagoli, M; Coropceanu, V; da Silva, DA; Bredas, JL, Journal Of Chemical Physics, 120, 7490-7496
  8. Correlation Between The Microscopic Morphology And The Solid-State Photoluminescence Properties In Fluorene-Based Polymers And Copolymers, Surin, M; Hennebicq, E; Ego, C; Marsitzky, D; Grimsdale, AC; Mullen, K; Bredas, JL; Lazzaroni, R; Leclere, P, Chemistry Of Materials, 16, 994-1001
  9. Charge-Transfer States And White Emission In Organic Light-Emitting Diodes: A Theoretical Investigation, Fang, Y; Gao, SL; Yang, X; Shuai, Z; Beljonne, D; Bredas, JL, Synthetic Metals, 141, 43-49
  10. Charge Transport Properties In Discotic Liquid Crystals: A Quantum-Chemical Insight Into Structure-Property Relationships, Lemaur, V; Da Silva Filho, DA; Coropceanu, V; Lehmann, M; Geerts, Y; Piris, J; Debije, MG; Van de Craats, AM; Senthilkumar, K; Siebbeles, LDA; Warman, JM; Bredas, JL; Cornil, J, Journal Of The American Chemical Society, 126, 3271-3279
  11. Electronic Couplings In Organic Mixed-Valence Compounds: The Contribution Of Photoelectron Spectroscopy, Coropceanu, V; Gruhn, NE; Barlow, S; Lambert, C; Durivage, JC; Bill, TG; Noll, G; Marder, SR; Bredas, JL, Journal Of The American Chemical Society, 126, 2727-2731
  12. Electrons Are Transported Through Phenylene-Ethynylene Oligomer Monolayers Via Localized Molecular Orbitals, Fan, FRF; Lai, RY; Cornil, J; Karzazi, Y; Bredas, JL; Cai, LT; Cheng, L; Yao, YX; Price, DW; Dirk, SM; Tour, JM; Bard, AJ, Journal Of The American Chemical Society, 126, 2568-2573
  13. Atomic Force Microscopy Study Of Comb-Like Vs. Arborescent Graft Copolymers In Thin Films, Viville, P; Leclere, P; Deffieux, A; Schappacher, M; Bernard, J; Borsali, R; Bredas, JL; Lazzaroni, R, Polymer, 45, 1833-1843
  14. Excited-State Localization Effects In Alternating Meta- And Para-Linked Poly(Phenylene-Vinylene)S, Pogantsch, A; Mahler, AK; Hayn, G; Saf, R; Stelzer, F; List, EJW; Bredas, JL; Zojer, E, Chemical Physics, 297, 143-151
  15. Photophysical Properties of Ruthenium(II) Polyazaaromatic Compounds: A Theoretical Insight, Pourtois, G; Beljonne, D; Moucheron, C; Schumm, S; Kirsch-De Mesmaeker, A; Lazzaroni, R; Bredas, JL, Journal Of The American Chemical Society, 126, 683-692
  16. Electro-Active π-Conjugated Oligomers And Polymers: A Molecular Picture Of Charge-Transfer Processes, Brédas, JL; Beljonne, D; Coropceanu, V; Cornil, J, Educación Química, 15, 388-397
  17. Organic Light-Emitting Diodes Based On Arylamine Molecules And Polymers With A Fluorene Core, Domercq, B; Hreha, R; Haldi, A; Barlow, S; George, C; Marder, SR; Malagoli, M; Brédas, JL; Kippelen, B, SPIE -The International Society for Optical Engineering, 5214, 225-232
  18. Organic Thin Film Transistors Based On N-Alkyl Perylene Diimides: Charge Transport Kinetics As A Function Of Gate Voltage And Temperature, Chesterfield, RJ; McKeen, JC; Newman, CR; Ewbank, PC; da Silva, DA; Bredas, JL; Miller, LL; Mann, KR; Frisbie, CD, Journal Of Physical Chemistry B, 108, 19281-19292
  19. Suppression Of The Keto-Emission In Polyfluorene Light-Emitting Diodes: Experiments And Models, Yang, XH; Jaiser, F; Neher, D; Lawson, PV; Bredas, JL; Zojer, E; Guntner, R; de Freitas, PS; Forster, M; Scherf, U, Advanced Functional Materials, 14, 1097-1104
  20. The Effects Of Sulfon On The Structural And Optical Properties In The Low-Bandgap Conjugated Polymer Poly (3,4-Ethylenedioxythiophene), Dkhissi, A; Beljonne, D; Lazzaroni, R; Bredas, JL, Journal Of Molecular Structure-Theochem, 709, 195-199
  21. Three-Photon Absorption In Anthracene-Porphyrin-Anthracene Triads: A Quantum-Chemical Study, Zhu, LY; Yang, X; Yi, YP; Xuan, PF; Shuai, ZG; Chen, DZ; Zojer, E; Bredas, JL; Beljonne, D, Journal Of Chemical Physics, 121, 11060-11067
  22. Preparation And Characterization Of Pi-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior And Bandwidths From Crystal Structures And Molecular Orbital Calculations, Janzen, DE; Burand, MW; Ewbank, PC; Pappenfus, TM; Higuchi, H; da Silva, DA; Young, VG; Bredas, JL; Mann, KR, Journal Of The American Chemical Society, 126, 15295-15308
  23. Introduction To Organic Thin Film Transistors And Design Of N-Channel Organic Semiconductors, Newman, CR; Frisbie, CD; da Silva, DA; Bredas, JL; Ewbank, PC; Mann, KR, Chemistry Of Materials, 16, 4436-4451
  24. Ketonic Defects In Ladder-Type Poly(P-Phenylene)S, Romaner, L; Heimel, G; Wiesenhofer, H; de Freitas, PS; Scherf, U; Bredas, JL; Zojer, E; List, EJW, Chemistry Of Materials, 16, 4667-4674
  25. Charge-Transfer And Energy-Transfer Processes In Pi-Conjugated Oligomers And Polymers: A Molecular Picture, Bredas, JL; Beljonne, D; Coropceanu, V; Cornil, J, Chemical Reviews, 104, 4971-5003
  26. Quantum-Chemical Design Of Host Materials For Full-Color Triplet Emission, Avilov, I; Marsal, P; Bredas, JL; Beljonne, D, Advanced Materials, 16, 1624
  27. Electronic Properties Of Silole-Based Organic Semiconductors, Risko, C; Kushto, GP; Kafati, ZH; Bredas, JL, Journal Of Chemical Physics, 121, 9031-9038
  28. Delocalization In Platinum-Alkynyl Systems: A Metal-Bridged Organic Mixed-Valence Compound, Jones, SC; Coropceanu, V; Barlow, S; Kinnibrugh, T; Timofeeva, T; Bredas, JL; Marder, SR, Journal Of The American Chemical Society, 126, 11782-11783
  29. Electronic Delocalization In Discotic Liquid Crystals: A Joint Experimental And Theoretical Study, Crispin, X; Cornil, A; Friedlein, R; Okudaira, KK; Lemaur, V; Crispin, A; Kestemont, G; Lehmann, M; Fahlman, M; Lazzaroni, R; Geerts, Y; Wendin, G; Ueno, N; Bredas, JL; Salaneck, WR, Journal Of The American Chemical Society, 126, 11889-11899
  30. Optical Properties Of Singly Charged Conjugated Oligomers: A Coupled-Cluster Equation Of Motion Study, Ye, A; Shuai, Z; Kwon, O; Bredas, JL; Beljonne, D, Journal Of Chemical Physics, 121, 5567-5578
  31. Singlet-Triplet Splitting Of Geminate Electron-Hole Pairs In Conjugated Polymers, Kadashchuk, A; Vakhnin, A; Blonski, I; Beljonne, D; Shuai, Z; Bredas, JL; Arkhipov, VI; Heremans, P; Emelianova, EV; Bassler, H, Physical Review Letters, 93, 66803
  32. Vibronic Coupling In The Ground And Excited States Of The Naphthalene Cation, da Silva, DA; Friedlein, R; Coropceanu, V; Ohrwall, G; Osikowicz, W; Suess, C; Sorensen, SL; Svensson, S; Salaneck, WR; Bredas, JL, Chemical Communications, , 1702-1703
  33. Theoretical Characterization And Design Of End-Substituted Distyrylbenzenes As Excitation Shuttles In One-Dimensional Channels, Sancho-Garcia, JC; Poulsen, L; Gierschner, J; Martinez-Alvarez, R; Hennebicq, E; Hanack, M; Egelhaaf, HJ; Oelkrug, D; Beljonne, D; Bredas, JL; Cornil, J, Advanced Materials, 16, 1193
  34. 1,3,6,8-Tetraphenylpyrene Derivatives: Towards Fluorescent Liquid-Crystalline Columns?, de Halleux, V; Calbert, JP; Brocorens, P; Cornil, J; Declercq, JP; Bredas, JL; Geerts, Y, Advanced Functional Materials, 14, 649-659
  35. Chain-Length Dependence Of Singlet And Triplet Exciton Formation Rates In Organic Light-Emitting Diodes, Beljonne, D; Ye, AJ; Shuai, Z; Bredas, JL, Advanced Functional Materials, 14, 684-692
  36. Single Electron Transistor With A Single Conjugated Molecule, Kubatkin, S; Danilov, A; Hjort, M; Cornil, J; Bredas, JL; Stuhr-Hansen, N; Hedegard, P; Bjornholm, T, Current Applied Physics, 4, 554-558
  37. Metal-Ion Sensing Fluorophores With Large Two-Photon Absorption Cross Sections: Aza-Crown Ether Substituted Donor-Acceptor-Donor Distyryl Benzenes, Pond, SJK; Tsutsumi, O; Rumi, M; Kwon, O; Zojer, E; Bredas, JL; Marder, SR; Perry, JW, Journal Of The American Chemical Society, 126, 9291-9306
  38. Resonant Enhancement Of Two-Photon Absorption In Substituted Fluorene Molecules, Hales, JM; Hagan, DJ; Van Stryland, EW; Schafer, KJ; Morales, AR; Belfield, KD; Pacher, P; Kwon, O; Zojer, E; Bredas, JL, Journal Of Chemical Physics, 121, 3152-3160
  39. Molecular Dynamics Simulations Of Intercalated Poly(Epsilon-Caprolactone)-Montmorillonite Clay Nanocomposites, Gardebien, F; Gaudel-Siri, A; Bredas, JL; Lazzaroni, R, Journal Of Physical Chemistry B, 108, 10678-10686
  40. Two-Photon Absorption In Linear Bis-Dioxaborine Compounds - The Impact Of Correlation-Induced Oscillator-Strength Redistribution, Zojer, E; Wenseleers, W; Halik, M; Grasso, C; Barlow, S; Perry, JW; Marder, SR; Bredas, JL, Chemphyschem, 5, 982-988
  41. Molecular Hosts For Triplet Emission In Light Emitting Diodes: A Quantum-Chemical Study, Marsal, P; Avilov, I; da Silva, DA; Bredas, JL; Beljonne, D, Chemical Physics Letters, 392, 521-528
  42. Limitations Of Essential-State Models For The Description Of Two-Photon Absorption Processes: The Example Of Bis(Dioxaborine)-Substituted Chromophores, Zojer, E; Wenseleers, W; Pacher, P; Barlow, S; Halik, M; Grasso, C; Perry, JW; Marder, SR; Bredas, JL, Journal Of Physical Chemistry B, 108, 8641-8646
  1. 2,7-Bis(Diarylamino)-9,9-Dimethylfluorenes As Hole-Transport Materials For Organic Light-Emitting Diodes, Hreha, RD; George, CP; Haldi, A; Domercq, B; Malagoli, M; Barlow, S; Bredas, JL; Kippelen, B; Marder, SR, Advanced Functional Materials, 13, 967-973
  2. Origin Of High Second- And Third-Order Nonlinear Optical Response In Ammonio/Borato Diphenylpolyene Zwitterions: The Remarkable Role Of Polarized Aromatic Groups, Geskin, VM; Lambert, C; Bredas, JL, Journal Of The American Chemical Society, 125, 15651-15658
  3. Effect Of An External Electric Field On The Charge Transport Parameters In Organic Molecular Semiconductors, Sancho-Garcia, JC; Horowitz, G; Bredas, JL; Cornil, J, Journal Of Chemical Physics, 119, 12563-12568
  4. Pathways For Photoinduced Charge Separation In DNA Hairpins, Beljonne, D; Pourtois, G; Ratner, MA; Bredas, JL, Journal Of The American Chemical Society, 125, 14510-14517
  5. Revealing Competitive Forster-Type Resonance Energy-Transfer Pathways In Single Bichromophoric Molecules, Hofkens, J; Cotlet, M; Vosch, T; Tinnefeld, P; Weston, KD; Ego, C; Grimsdale, A; Mullen, K; Beljonne, D; Bredas, JL; Jordens, S; Schweitzer, G; Sauer, M; De Schryver, F, Proceedings Of The National Academy Of Sciences Of The United States Of America, 100, 13146-13151
  6. The Role Of Vibronic Interactions On Intramolecular And Intermolecular Electron Transfer In Pi-Conjugated Oligomers, Coropceanu, V; Andre, JM; Malagoli, M; Bredas, JL, Theoretical Chemistry Accounts, 110, 59-69
  7. Single-Electron Transistor Of A Single Organic Molecule With Access To Several Redox States, Kubatkin, S; Danilov, A; Hjort, M; Cornil, J; Bredas, JL; Stuhr-Hansen, N; Hedegard, P; Bjornholm, T, Nature, 425, 698-701
  8. Molecular Dynamics Study Of Epsilon-Caprolactone Intercalated In Wyoming Sodium Montmorillonite, Gaudel-Siri, A; Brocorens, P; Siri, D; Gardebien, F; Bredas, JL; Lazzaroni, R, Langmuir, 19, 8287-8291
  9. On The Polarization Of The Green Emission Of Polyfluorenes, Yang, XH; Neher, D; Spitz, C; Zojer, E; Bredas, JL; Guntner, R; Scherf, U, Journal Of Chemical Physics, 119, 6832-6839
  10. Theoretical Investigation Of The Spin-Dependent Exciton Formation Rates In Polymeric Light-Emitting Diodes, Shuai, ZG; Yin, SW; Chen, LP; Ye, AJ; Beljonne, D; Bredas, JL, Journal Of The Chinese Chemical Society, 50, 691-702
  11. Twisted Pi-System Electro-Optic Chromophores. A Cis Vs. Mrd-Ci Theoretical Investigation, Keinan, S; Zojer, E; Bredas, JL; Ratner, MA; Marks, TJ, Journal Of Molecular Structure-Theochem, 633, 227-235
  12. Assessment Of The Reliability Of The Perdew-Burke-Ernzerhof Functionals In The Determination Of Torsional Potentials In Pi-Conjugated Molecules, Sancho-Garcia, JC; Bredas, JL; Cornil, J, Chemical Physics Letters, 377, 63-68
  13. Alternating Oligo(P-Phenylene Vinylene)-Perylene Bisimide Copolymers: Synthesis, Photophysics, And Photovoltaic Properties Of A New Class Of Donor-Acceptor Materials, Neuteboom, EE; Meskers, SCJ; van Hal, PA; van Duren, JKJ; Meijer, EW; Janssen, RAJ; Dupin, H; Pourtois, G; Cornil, J; Lazzaroni, R; Bredas, JL; Beljonne, D, Journal Of The American Chemical Society, 125, 8625-8638
  14. Bis(Dioxaborine) Compounds With Large Two-Photon Cross Sections, And Their Use In The Photodeposition Of Silver, Halik, M; Wenseleers, W; Grasso, C; Stellacci, F; Zojer, E; Barlow, S; Bredas, JL; Perry, JW; Marder, SR, Chemical Communications, , 1490-1491
  15. Absorption And Emission In Quaterthienyl Thin Films, Sun, H; Zhao, Z; Spano, FC; Beljonne, D; Cornil, J; Shuai, Z; Bredas, JL, Advanced Materials, 15, 818
  16. Polaron Pair Vs. Bipolaron On Oligothiophene Chains: A Theoretical Study Of The Singlet And Triplet States, Geskin, VM; Bredas, JL, Chemphyschem, 4, 498-505
  17. Charge-Transfer Transitions In Triarylamine Mixed-Valence Systems: The Effect Of Temperature, Coropceanu, V; Lambert, C; Nöll, G; Brédas, JL, Chemical Physics Letters, 373, 153-160
  18. Coupled-Cluster Approach For Studying The Optical Properties Of Charged Pi-Conjugated Oligomers, Ye, A; Shuai, Z; Beljonne, D; Bredas, JL, Synthetic Metals, 137, 1077-1078
  19. Energy Transfer In Pi-Conjugated Polymers: Interchain Vs. Intrachain Processes In Polyindenofluorene, Beljonne, D; Pourtois, G; Shuai, Z; Hennebicq, E; Scholes, GD; Bredas, JL, Synthetic Metals, 137, 1369-1371
  20. Molecular Fluorescence Lifetime Fluctuations: On The Possible Role Of Conformational Effects, Vallee, RAL; Vancso, GJ; van Hulst, NF; Calbert, JP; Cornil, J; Bredas, JL, Chemical Physics Letters, 372, 282-287
  21. Electronic And Optical Properties Of Polyfluorene And Fluorene-Based Copolymers: A Quantum-Chemical Characterization, Cornil, J; Gueli, I; Dkhissi, A; Sancho-Garcia, JC; Hennebicq, E; Calbert, JP; Lemaur, V; Beljonne, D; Bredas, JL, Journal Of Chemical Physics, 118, 6615-6623
  22. Iron-Polyaniline Interfaces: Implications For Corrosion Protection, Fahlman, M; Crispin, X; Smallfield, JAO; Lazzaroni, R; Bredas, JL; Li, S; Wei, Y; Epstein, AJ, Electroactive Polymers For Corrosion Control, 843, 76-89
  23. Theoretical Investigation Of The Origin Of Negative Differential Resistance In Substituted Phenylene Ethynylene Oligomers, Karzazi, Y; Cornil, J; Bredas, JL, Nanotechnology, 14, 165-171
  24. Effect Of Substitution On The Hole Mobility Of Bis(Diarylamino)Biphenyl Derivatives Doped In Poly(Styrene), Maldonado, JL; Bishop, M; Fuentes-Hernandez, C; Caron, P; Domercq, B; Zhang, YD; Barlow, S; Thayumanavan, S; Malagoli, M; Bredas, JL; Marder, SR; Kippelen, B, Chemistry Of Materials, 15, 994-999
  25. Three-Dimensional Band Structure And Bandlike Mobility In Oligoacene Single Crystals: A Theoretical Investigation, Cheng, YC; Silbey, RJ; da Silva, DA; Calbert, JP; Cornil, J; Bredas, JL, Journal Of Chemical Physics, 118, 3764-3774
  26. Geometric And Electronic Structure Of Zwitterionic Push-Pull Polyenes For Nonlinear Optics, Geskin, VM; Bredas, JL, International Journal Of Quantum Chemistry, 91, 303-310
  27. Oligothiophene Radical Cations: Polaron Structure In Hybrid DFT And MP2 Calculations, Geskin, VM; Dkhissi, A; Bredas, JL, International Journal Of Quantum Chemistry, 91, 350-354
  28. Density Functional Theory And Hartree-Fock Studies Of The Geometric And Electronic Structure Of Neutral And Doped Ethylene Dioxythiophene (Edot) Oligomers, Dkhissi, A; Beljonne, D; Lazzaroni, R; Louwet, F; Groenendaal, L; Bredas, JL, International Journal Of Quantum Chemistry, 91, 517-523
  29. An Anionic Organic Mixed-Valence System With A Remarkably Well-Resolved Vibrational Structure In Its Intervalence Band, Risko, C; Barlow, S; Coropceanu, V; Halik, M; Bredas, JL; Marder, SR, Chemical Communications, , 194-195
  30. Supramolecular Organization In Block Copolymers Containing A Conjugated Segment: A Joint AFM/Molecular Modeling Study, Leclere, P; Hennebicq, E; Calderone, A; Brocorens, P; Grimsdale, AC; Mullen, K; Bredas, JL; Lazzaroni, R, Progress In Polymer Science, 28, 55-81
  31. One And Two-Dimensional Semiconducting Nanostructures Self-Assembly Of Conjugated Oligomers, Leclere, P; Surin, M; Jonkheijm, P; Henze, O; Schenning, APHJ; Biscarini, F; Grimsdale, AC; Feast, WJ; Meijer, EW; Müllen, K; Brédas, JL; Lazzaroni, R, Materials Research Society Symposium Proceedings, 775, 225-230
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  33. Quantum Chemistry As A Tool For The Study Of Electronic And Optical Processes In Organic Materials, Lemaur, V; Hennebicq, E; Cornil, J; Beljonne, D; Brédas, JL, Chimie Nouvelle, 82, 73-78
  1. Resonant Tunneling Processes Along Conjugated Molecular Wires: A Quantum-Chemical Description, Karzazi, Y; Cornil, J; Bredas, JL, Advanced Functional Materials, 12, 787-794
  2. Hole- And Electron-Vibrational Couplings In Oligoacene Crystals: Intramolecular Contributions, Coropceanu, V; Malagoli, M; da Silva, DA; Gruhn, NE; Bill, TG; Bredas, JL, Physical Review Letters, 89, 275503
  3. One- And Two-Photon Spectroscopy Of Donor-Acceptor-Donor Bis(styryl)benzene Derivatives: Effect Of Cyano Substitution And Distortion From Planarity, Pond, SJK; Rumi, M; Levin, MD; Parker, TC; Beljonne, D; Day, MW; Bredas, JL; Marder, SR; Perry, JW, Journal Of Physical Chemistry A, 106, 11470-11480
  4. The Symmetry Anomaly In Disubstituted Benzenes, Andre, JM; Bredas, JL; Coropceanu, V; Silbey, RJ, International Journal Of Quantum Chemistry, 90, 1428-1439
  5. Ultrafast Photoexcitation Dynamics In A Ladder-Type Oligophenyl, Gadermaier, C; Cerullo, G; Zavelani-Rossi, M; Sansone, G; Lanzani, G; Zojer, E; Pogantsch, A; Beljonne, D; Shuai, Z; Bredas, JL; Scherf, U; Leising, G, Physical Review B, 66, 125203
  6. Green Emission From Poly(Fluorene)s: The Role Of Oxidation, Zojer, E; Pogantsch, A; Hennebicq, E; Beljonne, D; Bredas, JL; de Freitas, PS; Scherf, U; List, EJW, Journal Of Chemical Physics, 117, 6794-6802
  7. Photorefractive Polymers With Non-Destructive Readout, Kippelen, B; Blanche, PA; Schulzgen, A; Fuentes-Hernandez, C; Ramos-Ortiz, G; Wang, JF; Peyghambarian, N; Marder, SR; Leclercq, A; Beljonne, D; Bredas, JL, Advanced Functional Materials, 12, 615-620
  8. Role Of Dimensionality On The Two-Photon Absorption Response Of Conjugated Molecules: The Case Of Octupolar Compounds, Beljonne, D; Wenseleers, W; Zojer, E; Shuai, ZG; Vogel, H; Pond, SJK; Perry, JW; Marder, SR; Bredas, JL, Advanced Functional Materials, 12, 631-641
  9. Charge-Transfer Transitions In Triarylamine Mixed-Valence Systems: A Joint Density Functional Theory And Vibronic Coupling Study, Coropceanu, V; Malagoli, M; Andre, JM; Bredas, JL, Journal Of The American Chemical Society, 124, 10519-10530
  10. Interchain Vs. Intrachain Energy Transfer In Acceptor-Capped Conjugated Polymers, Beljonne, D; Pourtois, G; Silva, C; Hennebicq, E; Herz, LM; Friend, RH; Scholes, GD; Setayesh, S; Mullen, K; Bredas, JL, Proceedings Of The National Academy Of Sciences Of The United States Of America, 99, 10982-10987
  11. Relationship Between Electronic Structure And Nonlinear Optical Activity Of Push-Pull Polyenes: Step Towards A Quantitative Treatment, Zuev, MB; Nefediev, SE; Bredas, JL, Polish Journal Of Chemistry, 76, 1211-1222
  12. Conjugated Polymer Chains Self-Assembly: A New Method To Generate (Semi)-Conducting Nanowires?, Leclere, P; Calderone, A; Mullen, K; Bredas, JL; Lazzaroni, R, Materials Science And Technology, 18, 749-754
  13. Theoretical Investigation Of The Nature Of The Ground State In The Low-Bandgap Conjugated Polymer, Poly(3,4-Ethylenedioxythiophene), Dkhissi, A; Louwet, F; Groenendaal, L; Beljonne, D; Lazzaroni, R; Bredas, JL, Chemical Physics Letters, 359, 466-472
  14. The Vibrational Reorganization Energy In Pentacene: Molecular Influences On Charge Transport, Gruhn, NE; da Silva, DA; Bill, TG; Malagoli, M; Coropceanu, V; Kahn, A; Bredas, JL, Journal Of The American Chemical Society, 124, 7918-7919
  15. Characterization Of The Interface Dipole At Organic/Metal Interfaces, Crispin, X; Geskin, V; Crispin, A; Cornil, J; Lazzaroni, R; Salaneck, WR; Bredas, JL, Journal Of The American Chemical Society, 124, 8131-8141
  16. Resonant Tunnelling Diodes Based On Molecular Wires Incorporating Saturated Spacers: A Quantum-Chemical Study, Karzazi, Y; Cornil, J; Bredas, JL, Nanotechnology, 13, 336-340
  17. Synthesis And Characterization Of Novel Para- And Meta-Phenylenevinylene Derivatives: Fine Tuning Of The Electronic And Optical Properties Of Conjugated Materials, Pascal, L; Vanden Eynde, JJ; Van Haverbeke, Y; Dubois, P; Michel, A; Rant, U; Zojer, E; Leising, G; Van Dorn, LO; Gruhn, NE; Cornil, J; Bredas, JL, Journal Of Physical Chemistry B, 106, 6442-6450
  18. High Levels Of Alkali-Metal Storage In Thin Films Of Hexa-Peri-Hexabenzocoronene, Keil, M; Samori, P; dos Santos, DA; Birgerson, J; Friedlein, R; Dkhissi, A; Watson, M; Mullen, K; Bredas, JL; Rabe, JP; Salaneck, WR, Journal Of Chemical Physics, 116, 10854-10860
  19. Dynamic Force Microscopy Analysis Of Block Copolymers: Beyond Imaging The Morphology, Leclere, P; Dubourg, F; Kopp-Marsaudon, S; Bredas, JL; Lazzaroni, R; Aime, JP, Applied Surface Science, 188, 524-533
  20. Charge Transport In Discotic Liquid Crystals: A Molecular Scale Description, Cornil, J; Lemaur, V; Calbert, JP; Bredas, JL, Advanced Materials, 14, 726
  21. Optical And Redox Properties Of A Series Of 3,4-Ethylenedioxythiophene Oligomers, Apperloo, JJ; Groenendaal, L; Verheyen, H; Jayakannan, M; Janssen, RAJ; Dkhissi, A; Beljonne, D; Lazzaroni, R; Bredas, JL, Chemistry-A European Journal, 8, 2384-2396
  22. Organic Semiconductors: A Theoretical Characterization Of The Basic Parameters Governing Charge Transport, Bredas, JL; Calbert, JP; da Silva, DA; Cornil, J, Proceedings Of The National Academy Of Sciences Of The United States Of America, 99, 5804-5809
  23. Photoinduced Electron-Transfer Processes Along Molecular Wires Based On Phenylenevinylene Oligomers: A Quantum-Chemical Insight, Pourtois, G; Beljonne, D; Cornil, J; Ratner, MA; Bredas, JL, Journal Of The American Chemical Society, 124, 4436-4447
  24. Manifestation Of The Double-Exchange Interaction In The Mössbauer Spectrum Of Mixed-Valence Systems, Coropceanu, V; Bredas, JL; Winkler, H; Trautwein, AX, Journal Of Chemical Physics, 116, 8152-8158
  25. Influence Of Dopant On The Electronic Structure Of Spiro-Oligophenyl-Based Disordered Organic Semiconductors, Crispin, A; Crispin, X; Fahlman, M; dos Santos, DA; Cornil, J; Johansson, N; Bauer, J; Weissortel, F; Salbeck, J; Bredas, JL; Salaneck, WR, Journal Of Chemical Physics, 116, 8159-8167
  26. Negative Differential Resistance In Phenylene Ethynylene Oligomers, Cornil, J; Karzazi, Y; Bredas, JL, Journal Of The American Chemical Society, 124, 3516-3517
  27. Impact Of Conformation On The Dipole Moment Of Bis-Triarylamine Derivatives, Malagoli, M; Manoharan, M; Kippelen, B; Bredas, JL, Chemical Physics Letters, 354, 283-290
  28. Electronic Structure And Optical Properties Of Mixed Phenylene Vinylene/Phenylene Ethynylene Conjugated Oligomers, Schenning, APHJ; Tsipis, AC; Meskers, SCJ; Beljonne, D; Meijer, EW; Bredas, JL, Chemistry Of Materials, 14, 1362-1368
  29. Influence Of The Degree Of Conjugation On Excited State Lifetimes In Phenylene-Based Materials, Rant, U; Scherf, U; Rehahn, M; Galda, P; Bredas, JL; Zojer, E, Synthetic Metals, 127, 241-245
  30. Tribute to Alan J. Heeger, Alan G. MacDiarmid, and Hideki Shirakawa, Bredas, JL; Marder, SR; Salaneck, WR, Macromolecules, 35, 1137-1139
  31. Tuning The Two-Photon Absorption Response Of Quadrupolar Organic Molecules, Zojer, E; Beljonne, D; Kogej, T; Vogel, H; Marder, SR; Perry, JW; Bredas, JL, Journal Of Chemical Physics, 116, 3646-3658
  32. Coupled-Cluster Approach For Studying The Singlet And Triplet Exciton Formation Rates In Conjugated Polymer LEDs, Ye, A; Shuai, Z; Bredas, JL, Physical Review B, 65, 45208
  33. Electronic Structure Of Poly(9,9-Dioctylfluorene) In The Pristine And Reduced State, Greczynski, G; Fahlman, M; Salaneck, WR; Johansson, N; dos Santos, DA; Dkhissi, A; Bredas, JL, Journal Of Chemical Physics, 116, 1700-1706
  34. Electronic Structure Of Pi-Conjugated Oligomers And Polymers: A Quantum-Chemical Approach To Transport Properties, Bredas, JL; Beljonne, D; Cornil, J; Calbert, JP; Shuai, Z; Silbey, R, Synthetic Metals, 125, 107-116
  1. Optical Properties Of Highly Oriented Poly(P-Phenylene-Vinylene), Comoretto, D; Marabelli, F; Tognini, P; Stella, A; Cornil, J; dos Santos, DA; Bredas, JL; Moses, D; Dellepiane, G, Synthetic Metals, 124, 53-58
  2. Photorefractive Properties And Applications Of Polymer Composites And Fully Functionalized Polymethacrylates, Hendrickx, E; Van Steenwinckel, D; Engels, C; Gubbelmans, E; Van den Broeck, K; Beljonne, D; Bredas, JL; Samyn, C; Persoons, A, Materials Science & Engineering C-Biomimetic And Supramolecular Systems, 18, 25-35
  3. Understanding The Initial Stages Of Polymer Grafting On Metals: A Photoelectron Spectroscopy Study Of Acrylonitrile Adsorption On Transition Metal Surfaces, Crispin, X; Lazzaroni, R; Crispin, A; Geskin, VM; Bredas, JL; Salaneck, WR, Journal Of Electron Spectroscopy And Related Phenomena, 121, 57-74
  4. Intervalence Transition In Triarylamine Mixed-Valence Systems: A Time-Dependent Density Functional Theory Study, Coropceanu, V; Malagoli, M; Andre, JM; Bredas, JL, Journal Of Chemical Physics, 115, 10409-10416
  5. Phase-Separated Microstructures In 'All-Acrylic' Thermoplastic Elastomers, Leclere, P; Rasmont, A; Bredas, JL; Jerome, R; Aime, JP; Lazzaroni, R, Macromolecular Symposia, 167, 117-137
  6. A Density Functional Model For Tuning The Charge Transfer Between A Transition Metal Electrode And A Chemisorbed Molecule Via The Electrode Potential, Crispin, X; Geskin, VM; Bureau, C; Lazzaroni, R; Schmickler, W; Bredas, JL, Journal Of Chemical Physics, 115, 10493-10499
  7. On The Luminescence Efficiency Of Polymer Light-Emitting Diodes: A Quantum-Chemical Investigation, Beljonne, D; Shuai, Z; Cornil, J; Calbert, JP; Bredas, JL, Journal Of Photochemistry And Photobiology A-Chemistry, 144, 57-62
  8. Negative Differential Resistance Behavior In Conjugated Molecular Wires Incorporating Spacers: A Quantum-Chemical Description, Karzazi, Y; Cornil, J; Bredas, JL, Journal Of The American Chemical Society, 123, 10076-10084
  9. Analysis Of The Sign Reversal Of The Second-Order Molecular Polarizability In Polymethineimine Chains, Jacquemin, D; Beljonne, D; Champagne, B; Geskin, V; Bredas, JL; Andre, JM, Journal Of Chemical Physics, 115, 6766-6774
  10. Surface Organization Of Single Hyperbranched Polymer Molecules, As Studied By Atomic Force Microscopy, Viville, P; Deffieux, A; Schappacher, M; Bredas, JL; Lazzaroni, R, Materials Science & Engineering C-Biomimetic And Supramolecular Systems, 15, 311-314
  11. Scaling Aspects Of The Kinetics Of Thermally Induced Phase Separation In Bisphenol A Polycarbonate/Poly(Methyl Methacrylate) Blends, Viville, P; Biscarini, F; Bredas, JL; Lazzaroni, R, Journal Of Physical Chemistry B, 105, 7499-7507
  12. Interchain Interactions In Organic Pi-Conjugated Materials: Impact On Electronic Structure, Optical Response, And Charge Transport, Cornil, J; Beljonne, D; Calbert, JP; Bredas, JL, Advanced Materials, 13, 1053-1067
  13. A Joint Experimental And Theoretical Study Of The Infrared Spectra Of 2-Methyl-4-Nitroaniline Crystals Oriented On Nanostructured Poly(Tetrafluoroethylene) Substrates, Vallee, R; Damman, P; Dosiere, M; Scalmani, G; Bredas, JL, Journal Of Physical Chemistry B, 105, 6064-6069
  14. Optical Signature Of Delocalized Polarons In Conjugated Polymers, Beljonne, D; Cornil, J; Sirringhaus, H; Brown, PJ; Shkunov, M; Friend, RH; Bredas, JL, Advanced Functional Materials, 11, 229-234
  15. Joint Experimental And Theoretical Characterization Of The Electronic Structure Of 4,4 '-Bis(N-M-Tolyl-N-Phenylamino)Biphenyl (TPD) And Substituted Derivatives, Cornil, J; Gruhn, NE; dos Santos, DA; Malagoli, M; Lee, PA; Barlow, S; Thayumanavan, S; Marder, SR; Armstrong, NR; Bredas, JL, Journal Of Physical Chemistry A, 105, 5206-5211
  16. Interchain Interactions In Pi-Conjugated Oligomers And Polymers: A Primer, Cornil, J; Calbert, JP; Beljonne, D; Silbey, R; Bredas, JL, Synthetic Metals, 119, 1-6
  17. Synthesis And Characterization Of Novel Oligo(Phenylenevinylene) Derivatives, Pascal, L; Eynde, JJV; Van Haverbeke, Y; Dubois, P; Rant, U; Zojer, E; Leising, G; Lazzaroni, R; Cornil, J; Bredas, JL, Synthetic Metals, 119, 183-184
  18. Organization Of Conjugated Polymer Materials Via Block Copolymer Self-Assembly, Leclere, P; Calderone, A; Marsitzky, D; Francke, V; Mullen, K; Bredas, JL; Lazzaroni, R, Synthetic Metals, 121, 1295-1296
  19. Singlet And Triplet Exciton Formation Rates In Conjugated Polymer LEDs, Shuai, Z; Ye, A; Beljonne, D; Silbey, RJ; Bredas, JL, Synthetic Metals, 121, 1637-1638
  20. Full-Electrochemical Preparation Of Conducting/Insulating Binary Polymer Films, Jerome, C; Geskin, V; Lazzaroni, R; Bredas, JL; Thibaut, A; Calberg, C; Bodart, I; Mertens, M; Martinot, L; Rodrigue, D; Riga, J; Jerome, R, Chemistry Of Materials, 13, 1656-1664
  21. Surface Organization Of Hyperbranched Polymer Molecules, As Studied By Atomic Force Microscopy, Viville, P; Deffieux, A; Schappacher, M; Leclere, P; Bredas, JL; Lazzaroni, R, Macromolecular Symposia, 167, 243-256
  22. Electrochemical Strategies For The Strengthening Of Polymer-Metal Interfaces, Baute, N; Jerome, C; Martinot, L; Mertens, M; Geskin, VM; Lazzaroni, R; Bredas, JL; Jerome, R, European Journal Of Inorganic Chemistry, , 1097-1107
  23. Quantum-Chemical Design Of Two-Photon Absorbing Organic Chromophores, Beljonne, D; Perry, JW; Marder, SR; Brédas, JL, Nonlinear Optics, 27, 47-63
  24. Spin-Orbit Coupling And Intersystem Crossing In Conjugated Polymers: A Configuration Interaction Description, Beljonne, D; Shuai, Z; Pourtois, G; Bredas, JL, Journal Of Physical Chemistry A, 105, 3899-3907
  25. Charge Transport In Conjugated Materials: Insight From Quantum-Chemical Calculations, Beljonne, D; Cornil, J; Calbert, JP; Brédas, JL, SPIE - The International Society of Optical Engineering, 4279, 147-152
  26. Interfacial Chemistry Of Alq(3) And Lif With Reactive Metals, Mason, MG; Tang, CW; Hung, LS; Raychaudhuri, P; Madathil, J; Giesen, DJ; Yan, L; Le, QT; Gao, Y; Lee, ST; Liao, LS; Cheng, LF; Salaneck, WR; dos Santos, DA; Bredas, JL, Journal Of Applied Physics, 89, 2756-2765
  27. Effect Of Ion Coordination On The Conformational And Electronic Structure Of 3,4-Bis(Alkylthio)Thiophenes, Goldoni, F; Antolini, L; Pourtois, G; Schenning, PHJ; Janssen, RAJ; Lazzaroni, R; Bredas, JL; Meijer, EW, European Journal Of Inorganic Chemistry, , 821-828
  28. Electronic Structure Of Pristine And Sodium Doped Poly(P-Pyridine), Greczynski, G; Johansson, N; Logdlund, M; Pettersson, LAA; Salaneck, WR; Horsburgh, LE; Monkman, AP; dos Santos, DA; Bredas, JL, Journal Of Chemical Physics, 114, 4243-4252
  29. Electronic Structure Of The Pentacene Single Crystal: Relation To Transport Properties, Cornil, J; Calbert, JP; Bredas, JL, Journal Of The American Chemical Society, 123, 1250-1251
  30. Morphology And Mechanical Properties Of Poly(Methylmethacrylate)-B-Poly(Alkylacrylate)-B-P Oly(Methylmethacrylate), Tong, JD; Leclere, P; Doneux, C; Bredas, JL; Lazzaroni, R; Jerome, R, Polymer, 42, 3503-3514
  31. Experimental And Theoretical Studies Of The Anisotropical Complex Dielectric Constant Of Highly Stretch-Oriented Poly(P-Phenylene-Vinylene), Comoretto, D; Dellepiane, G; Marabelli, F; Tognini, P; Stella, A; Cornil, J; dos Santos, DA; Bredas, JL; Moses, D, Synthetic Metals, 116, 107-110
  32. Theoretical Investigation Of The Origin Of The Large Non-Linear Optical Response In Acceptor-Substituted Carotenoids, Geskin, VM; Balakina, MY; Li, J; Marder, SR; Bredas, JL, Synthetic Metals, 116, 263-267
  33. Interpretation Of Finite-Field Molecular Cubic Polarizability Via Real-Space Contributions: Application To Pi-Conjugated Oligomers, Geskin, VM; Bredas, JL, Synthetic Metals, 116, 269-273
  1. Photorefractive Properties Of TNFM-Sensitized PVK-Based Polymer Composites And Fully Functionalized Polymethacrylates, Hendricks, E; Van Steenwinckel, D; Engels, C; Gubbelmans, E; Van Den Broeck, K; Beljonne, D; Brédas, JL; Samyn, C; Persoons,A, SPIE - The International Society of Optical Engineering, 4104, 130-139
  2. Synthesis, Morphology And Mechanical Properties Of Poly(Methyl Methacrylate)-B-Poly(N-Butyl Acrylate)-B-Poly(Methyl Methacrylate) Triblocks. Ligated Anionic Polymerization Vs. Atom Transfer Radical Polymerization, Tong, JD; Moineau, G; Leclère, P; Brédas, JL; Lazzaroni, R; Jérôme, R, Macromolecules, 33, 470-479
  3. Photophysical Properties Of Multiply-Phenylated C70 Derivatives. Spectroscopic And Quantum-Chemical Investigations, Coheur, PF; Cornil, J; dos Santos, DA; Birkett, PR; Lievin, J; Brédas, JL; Walton, DRM; Taylor, R; Kroto, HW; Colin, R, Journal Of Chemical Physics, 112, 6371-6381
  4. Highly-Regular Organization Of Conjugated Polymer Chains Via Block Copolymer Self-Assembly., Leclere, P; Marsitzky, D; Francke, V; Setayesh, S; Mullen, K; Bredas, JL; Lazzaroni, R, Abstracts Of Papers Of The American Chemical Society, 220, 377-POLY
  5. STM Imaging Of An Heptanuclear Ruthenium(II) Dendrimer, Mono-Add Layer On Graphite, Latterini, L; Pourtois, G; Moucheron, C; Lazzaroni, R; Brédas, JL; Kirsch-De Mesmaeker, A; De Schryver, FC, Chemistry-A European Journal, 6, 1331-1336
  6. Novel Functionalized Oligo-Vinylthiophene Molecules With Modulated Second-Order Nonlinear Optical Response, dos Santos, DA; Kogej, T; Brédas, JL; Boutton, C; Hendrickx, E; Houbrechts, S; Clays, K; Persoons, A; Xhang, JX; Dubois, P; Jérôme, R, Journal Of Molecular Structure, 521, 221-230
  7. Molecular Organization Of Bis-Urea Substituted Thiophene Derivatives At The Liquid/Solid Interface Studied By Scanning Tunneling Microscopy, Gesquiere, A; Abdel-Mottaleb, MMS; De Feyter, S; De Schryver, FC; Schoonbeek, F; van Esch, J; Kellogg, RM; Feringa, BL; Calderone, A; Lazzaroni, R; Bredas, JL, Langmuir, 16, 10385-10391
  8. The Density Matrix Renormalization Group Method: Application To The Low-Lying Electronic States In Conjugated Polymers, Ramasesha, S; Pati, SK; Shuai, Z; Bredas, JL, Advances In Quantum Chemistry, Vol 38, 38, 121-215
  9. Coupled-Cluster Approach For Studying The Electronic And Nonlinear Optical Properties Of Conjugated Molecules, Shuai, Z; Bredas, JL, Physical Review B, 62, 15452-15460
  10. Nonlinear Optical Response Of Polarized Carotenoids: A Theoretical Study, Balakina, MY; Li, J; Geskin, VM; Marder, SR; Bredas, JL, Journal Of Chemical Physics, 113, 9598-9609
  11. Excited State Localization In Organic Molecules Consisting Of Conjugated And Nonconjugated Segments, Zojer, E; Buchacher, P; Wudl, F; Cornil, J; Calbert, JP; Bredas, JL; Leising, G, Journal Of Chemical Physics, 113, 10002-10012
  12. A Theoretical Insight Into The Solid-State Optical Properties Of Luminescent Materials: The Supermolecular Approach, Cornil, J; Beljonne, D; Dos Santos, DA; Calbert, JP; Shuai, Z; Bredas, JL, Comptes Rendus De L Academie Des Sciences Serie Iv Physique Astrophysique, 1, 403-408
  13. Microphase Separation At The Surface Of Block Copolymers, As Studied With Atomic Force Microscopy, Rasmont, A; Leclere, P; Doneux, C; Lambin, G; Tong, JD; Jerome, R; Bredas, JL; Lazzaroni, R, Colloids And Surfaces B-Biointerfaces, 19, 381-395
  14. Dynamics In Physisorbed Monolayers Of 5-Alkoxy-Isophthalic Acid Derivatives At The Solid/Liquid Interface Investigated By Scanning Tunneling Microscopy, Gesquiere, A; Abdel-Mottaleb, MM; De Feyter, S; De Schryver, FC; Sieffert, M; Mullen, K; Calderone, A; Lazzaroni, R; Bredas, JL, Chemistry-A European Journal, 6, 3739-3746
  15. Optical Constants Of Highly Stretch-Oriented Poly(P-Phenylene-Vinylene): A Joint Experimental And Theoretical Study, Comoretto, D; Dellepiane, G; Marabelli, F; Cornil, J; dos Santos, DA; Bredas, JL; Moses, D, Physical Review B, 62, 10173-10184
  16. Monodisperse Poly(Triacetylene) Oligomers Extending From Monomer To Hexadecamer: Joint Experimental And Theoretical Investigation Of Physical Properties, Martin, RE; Gubler, U; Cornil, J; Balakina, M; Boudon, C; Bosshard, C; Gisselbrecht, JP; Diederich, F; Gunter, P; Gross, M; Bredas, JL, Chemistry-A European Journal, 6, 3622-3635
  17. Effect Of Wave-Function Delocalization On The Exciton Splitting In Organic Conjugated Materials, Muccini, M; Schneider, M; Taliani, C; Sokolowski, M; Umbach, E; Beljonne, D; Cornil, J; Bredas, JL, Physical Review B, 62, 6296-6300
  18. Structure-Property Relationships For Two-Photon Absorbing Chromophores: Bis-Donor Diphenylpolyene And Bis(Styryl)Benzene Derivatives, Rumi, M; Ehrlich, JE; Heikal, AA; Perry, JW; Barlow, S; Hu, ZY; McCord-Maughon, D; Parker, TC; Rockel, H; Thayumanavan, S; Marder, SR; Beljonne, D; Bredas, JL, Journal Of The American Chemical Society, 122, 9500-9510
  19. Effect Of The Chromophore Donor Group And Ferrocene Doping On The Dynamic Range, Gain, And Phase Shift In Photorefractive Polymers, Hendrickx, E; Van Steenwinckel, D; Persoons, A; Samyn, C; Beljonne, D; Bredas, JL, Journal Of Chemical Physics, 113, 5439-5447
  20. Morphology And Rheology Of Poly(Methyl Methacrylate)-Block-Poly(Isooctyl Acrylate)-Block-Poly(Methyl Methacrylate) Triblock Copolymers, And Potential As Thermoplastic Elastomers, Tong, JD; Leclere, P; Rasmont, A; Bredas, JL; Lazzaroni, R; Jerome, R, Macromolecular Chemistry And Physics, 201, 1250-1258
  21. Density Functional Theory Study Of The Geometric Structure And Energetics Of Triphenylamine-Based Hole-Transporting Molecules, Malagoli, M; Bredas, JL, Chemical Physics Letters, 327, 13-17
  22. Highly Regular Organization Of Conjugated Polymer Chains Via Block Copolymer Self-Assembly, Leclere, P; Calderone, A; Marsitzky, D; Francke, V; Geerts, Y; Mullen, K; Bredas, JL; Lazzaroni, R, Advanced Materials, 12, 1042-1046
  23. Charge Transport Versus Optical Properties In Semiconducting Crystalline Organic Thin Films, Cornil, J; Calbert, JP; Beljonne, D; Silbey, R; Bredas, JL, Advanced Materials, 12, 978
  24. Structure, Morphology, And Optical Properties Of Highly Ordered Films Of Para-Sexiphenyl, Zojer, E; Koch, N; Puschnig, P; Meghdadi, F; Niko, A; Resel, R; Ambrosch-Draxl, C; Knupfer, M; Fink, J; Bredas, JL; Leising, G, Physical Review B, 61, 16538-16549
  25. Momentum-Dependent Excitation Processes In Crystalline And Amorphous Films Of Conjugated Oligomers, Zojer, E; Knupfer, M; Shuai, Z; Fink, J; Bredas, JL; Horhold, HH; Grimme, J; Scherf, U; Benincori, T; Leising, G, Physical Review B, 61, 16561-16569
  26. Influence Of The Morphology On The Electronic Structure Of Hexa-Peri-Hexabenzocoronene Thin Films, Keil, M; Samori, P; dos Santos, DA; Kugler, T; Stafstrom, S; Brand, JD; Mullen, K; Bredas, JL; Rabe, JP; Salaneck, WR, Journal Of Physical Chemistry B, 104, 3967-3975
  27. The Influence Of The Counterion On The Electronic Structure In Doped Phenylene-Based Materials, Koch, N; Rajagopal, A; Zojer, E; Ghijsen, J; Crispin, X; Pourtois, G; Bredas, JL; Johnson, RL; Pireaux, JJ; Leising, G, Surface Science, 454, 1000-1004
  28. Photophysical Properties Of Hexa-Functionalized C-60 Derivatives: Spectroscopic And Quantum-Chemical Investigations, Coheur, PF; Cornil, J; dos Santos, DA; Birkett, PR; Lievin, J; Bredas, JL; Walton, DRM; Taylor, R; Kroto, HW; Colin, R, Journal Of Chemical Physics, 112, 8555-8566
  29. STM Imaging Of A Heptanuclear Ruthenium(Ii) Dendrimer, Mono-Add Layer On Graphite, Latterini, L; Pourtois, G; Moucheron, C; Lazzaroni, R; Bredas, JL; Kirsch-De Mesmaeker, A; De Schryver, FC, Chemistry-A European Journal, 6, 1331-1336
  30. Novel Functionalized Oligo-Vinylthiophene Molecules With Modulated Second-Order Nonlinear Optical Response, dos Santos, DA; Kogej, T; Bredas, JL; Boutton, C; Hendrickx, E; Houbrechts, S; Clays, K; Persoons, A; Xhang, JX; Dubois, P; Jerome, R, Journal Of Molecular Structure, 521, 221-230
  31. Photophysical Properties Of Multiply Phenylated C-70 Derivatives: Spectroscopic And Quantum-Chemical Investigations, Coheur, PF; Cornil, J; dos Santos, DA; Birkett, PR; Lievin, J; Bredas, JL; Walton, DRM; Taylor, R; Kroto, HW; Colin, R, Journal Of Chemical Physics, 112, 6371-6381
  32. Synthesis And Bulk Properties Of Poly(Methyl Methacrylate)-B-Poly(Isooctyl Acrylate)-B-Poly(Methyl Methacrylate), Tong, JD; Leclere, P; Doneux, C; Bredas, JL; Lazzaroni, R; Jerome, R, Polymer, 41, 4617-4624
  33. The Quasi-Band-Structure Description Of Conjugated Oligomers, Zojer, E; Knupfer, M; Shuai, Z; Bredas, JL; Fink, J; Leising, G, Journal Of Physics-Condensed Matter, 12, 1753-1768
  34. Dynamic Structure Factor And Excitons In TPD, Knupfer, M; Fink, J; Zojer, E; Leising, G; Bredas, JL, Physical Review B, 61, 1662-1665
  35. Intermolecular Interactions In Electroluminescent Conjugated Materials, Cornil, J; Beljonne, D; dos Santos, DA; Calbert, JP; Bredas, JL, Thin Solid Films, 363, 72-75
  36. Polymer Interfaces Studied By Photoelectron Spectroscopy: Li On Polydioctylfluorene And Alq(3), Greczynski, G; Fahlman, M; Salaneck, WR; Johansson, N; dos Santos, DA; Bredas, JL, Thin Solid Films, 363, 322-326
  37. Interchain Interactions In Conjugated Materials: The Exciton Model Versus The Supermolecular Approach, Beljonne, D; Cornil, J; Silbey, R; Millie, P; Bredas, JL, Journal Of Chemical Physics, 112, 4749-4758
  38. Fourier Analysis Of The Femtosecond Hyper-Rayleigh Scattering Signal From Ionic Fluorescent Hemicyanine Dyes, Clays, K; Wostyn, K; Olbrechts, G; Persoons, A; Watanabe, A; Nogi, K; Duan, XM; Okada, S; Oikawa, H; Nakanishi, H; Vogel, H; Beljonne, D; Bredas, JL, Journal Of The Optical Society Of America B-Optical Physics, 17, 256-265
  39. Occupied And Unoccupied Electronic Levels In Organic Pi-Conjugated Molecules: Comparison Between Experiment And Theory, Hill, IG; Kahn, A; Cornil, J; dos Santos, DA; Bredas, JL, Chemical Physics Letters, 317, 444-450
  40. Synthesis, Morphology, And Mechanical Properties Of Poly(Methyl Methacrylate)-B-Poly(N-Butyl Acrylate)-B-Poly(Methyl Methacrylate) Triblocks. Ligated Anionic Polymerization Vs Atom Transfer Radical Polymerization, Tong, JD; Moineau, G; Leclere, P; Bredas, JL; Lazzaroni, R; Jerome, R, Macromolecules, 33, 470-479
  41. Crystal Network Formation In Organic Solar Cells, Dittmer, JJ; Lazzaroni, R; Leclere, P; Moretti, P; Granstrom, M; Petritsch, K; Marseglia, EA; Friend, RH; Bredas, JL; Rost, H; Holmes, AB, Solar Energy Materials And Solar Cells, 61, 53-61
  42. Singlet And Triplet Exciton Formation Rates In Conjugated Polymer Light-Emitting Diodes, Shuai, Z; Beljonne, D; Silbey, RJ; Bredas, JL, Physical Review Letters, 84, 131-134
  43. Ab Initio Study Of The Gas-Phase Structure And Electronic Properties Of M-Ch3 (M=Li, Na) And M-Cch (M=Li, Na, K): A Combined Post-Hartree-Fock And Density Functional Theory Study, Scalmani, G; Bredas, JL; Barone, V, Journal Of Chemical Physics, 112, 1178-1191
  44. Almost Temperature Independent Charge Carrier Mobilities In Liquid Crystals, Palenberg, MA; Silbey, RJ; Malagoli, M; Bredas, JL, Journal Of Chemical Physics, 112, 1541-1546
  1. Direct Observation Of Microdomain Morphology In 'All-Acrylic' Thermoplastic Elastomers Synthesized Via Living Radical Polymerization, Leclere, P; Moineau, G; Minet, M; Dubois, P; Jerome, R; Bredas, JL; Lazzaroni, R, Langmuir, 15, 3915-3919
  2. Electroluminescence In Semiconducting Conjugated Polymers And Oligomers: A Quantum- Chemical Perspective, Brédas, JL; Beljonne, D; Cornil, J; dos Santos, DA, International Journal of Polymeric Materials, 44, 341-355
  3. Theoretical Design Of Organic Chromophores With Large Two-Photon Absorption Cross-Sections, Beljonne, D; Kogej, T; Marder, SR; Perry, JW; Brédas, JL, Nonlinear Optics, 21, 461-480
  4. Electronic Structure Of Conjugated Polymers: Consequences Of Electron-Lattice Coupling, Salaneck, WR; Friend, RH; Bredas, JL, Physics Reports-Review Section Of Physics Letters, 319, 232-251
  5. Scaling Law For Second-Order Hyperpolarizability In Poly(Triacetylene) Molecular Wires, Gubler, U; Bosshard, C; Gunter, P; Balakina, MY; Cornil, J; Bredas, JL; Martin, RE; Diederich, F, Optics Letters, 24, 1599-1601
  6. Valence Electronic Structure Of Pi-Conjugated Materials: Simulation Of The Ultraviolet Photoelectron Spectra With Semiempirical Hartree-Fock Approaches, Cornil, J; Vanderdonckt, S; Lazzaroni, R; dos Santos, DA; Thys, G; Geise, HJ; Yu, LM; Szablewski, M; Bloor, D; Logdlund, M; Salaneck, WR; Gruhn, NE; Lichtenberger, DL; Lee, PA; Armstrong, NR; Bredas, JL, Chemistry Of Materials, 11, 2436-2443
  7. Charge- And Energy-Transfer Processes At Polymer/Polymer Interfaces: A Joint Experimental And Theoretical Study, Halls, JJM; Cornil, J; dos Santos, DA; Silbey, R; Hwang, DH; Holmes, AB; Bredas, JL; Friend, RH, Physical Review B, 60, 5721-5727
  8. Chemisorption Of Acrylonitrile On The Cu(100) Surface: A Local Density Functional Study, Crispin, X; Bureau, C; Geskin, VM; Lazzaroni, R; Salaneck, WR; Bredas, JL, Journal Of Chemical Physics, 111, 3237-3251
  9. Electronic Structure Of Tris(8-Hydroxyquinoline) Aluminum Thin Films In The Pristine And Reduced States, Johansson, N; Osada, T; Stafstrom, S; Salaneck, WR; Parente, V; dos Santos, DA; Crispin, X; Bredas, JL, Journal Of Chemical Physics, 111, 2157-2163
  10. On The Nature Of Electronic Excitations In Poly(Paraphenylenevinylene): A Quantum-Chemical Investigation, Beljonne, D; Shuai, Z; Cornil, J; dos Santos, DA; Bredas, JL, Journal Of Chemical Physics, 111, 2829-2841
  11. From Molecular States To Band Structure: Theoretical Investigation Of Momentum Dependent Excitations In Phenylene Based Organic Materials, Zojer, E; Shuai, Z; Leising, G; Bredas, JL, Journal Of Chemical Physics, 111, 1668-1675
  12. Excited-State Energy- And Charge-Transfer At Polymer/Polymer Interfaces, Halls, JJM; Cornil, J; dos Santos, DA; Hwang, DH; Holmes, AB; Bredas, JL; Friend, RH, Synthetic Metals, 101, 105-106
  13. Chemical And Electronic Structure Of A Novel Conjugated Polymer: Poly(4,4 '-Diphenylene Diphenylvinylene), Johansson, N; dos Santos, DA; Cacialli, F; Feast, WJ; Logdlund, M; Friend, RH; Bredas, JL; Salaneck, WR, Synthetic Metals, 101, 130-131
  14. Electronic Structure Of Polydithienothiophene Materials, Catellani, M; Lazzaroni, R; Luzzati, S; Bredas, JL, Synthetic Metals, 101, 175-176
  15. Momentum Dependent Excitation Processes In Organic Materials, Shuai, Z; Zojer, E; Leising, G; Bredas, JL, Synthetic Metals, 101, 337-338
  16. The Interaction Of Aluminum And P-Sexiphenyl, Koch, N; Yu, LM; Parente, V; Lazzaroni, R; Johnson, RL; Leising, G; Pireaux, JJ; Bredas, JL, Synthetic Metals, 101, 438-439
  17. Interaction Of Oxygen With Poly(Paraphenylene Vinylene): A Theoretical Study, dos Santos, DA; Bredas, JL, Synthetic Metals, 101, 486-487
  18. A Local View On Cubic Polarizability: Application To Pi-Conjugated Molecules, Geskin, VM; Bredas, JL, Synthetic Metals, 101, 488-489
  19. The Role Of Intermolecular Interactions On The Optical And Charge-Transfer Properties Of Conjugated Polymers, Cornil, J; dos Santos, DA; Silbey, R; Bredas, JL, Synthetic Metals, 101, 492-495
  20. Exciton Coupling In Oligothiophenes: A Combined Experimental/Theoretical Study, Beljonne, D; Langeveld-Voss, BMW; Shuai, Z; Janssen, RAJ; Meskers, SCJ; Meijer, EW; Bredas, JL, Synthetic Metals, 102, 912-913
  21. A Green Emitting, Alkoxy Disubstituted Poly(P-Phenylene Vinylene) For Electroluminescent Devices, Cacialli, F; Chuah, BS; Kim, JS; dos Santos, DA; Friend, RH; Moratti, SC; Holmes, AB; Bredas, JL, Synthetic Metals, 102, 924-925
  22. A Highly Luminescent Polymer For LEDs, Chuah, BS; Cacialli, F; dos Santos, DA; Feeder, N; Davies, JE; Moratti, SC; Holmes, AB; Friend, RH; Bredas, JL, Synthetic Metals, 102, 935-936
  23. Microstructure Of Block Copolymers Containing A Conjugated Segment, As Studied With Atomic Force Microscopy, Lazzaroni, R; Leclere, P; Couturiaux, A; Parente, V; Francois, B; Bredas, JL, Synthetic Metals, 102, 1279-1282
  24. Photophysical Properties Of C60Cl6, C60Ph5Cl And C60Ph5H, Coheur, PF; Cornil, J; dos Santos, DA; Birkett, PR; Lievin, J; Bredas, JL; Janot, JM; Seta, P; Leach, S; Walton, DRM; Taylor, R; Kroto, HW; Colin, R, Synthetic Metals, 103, 2407-2410
  25. Dynamical Nonlinear Optical Coefficients From The Symmetrized Density-Matrix Renormalization-Group Method, Pati, SK; Ramasesha, S; Shuai, Z; Bredas, JL, Physical Review B, 59, 14827-14830
  26. Theoretical Investigation Of Phenylene-Based Materials In Their Pristine And Doped State, Zojer, E; Cornil, JR; Leising, G; Bredas, JL, Optical Materials, 12, 307-310
  27. Theoretical Characterization Of Phenylene-Based Oligomers, Polymers, And Dendrimers, Brocorens, P; Zojer, E; Cornil, J; Shuai, Z; Leising, G; Mullen, K; Bredas, JL, Synthetic Metals, 100, 141-162
  28. Plasmons As The Primary Mechanism Of Ion-Induced Modifications In Polymers, Moliton, JP; Jussiaux-Devilder, C; Trigaud, T; Lazzaroni, R; Bredas, JL; Galaup, S; Kihn, Y; Sevely, J, Philosophical Magazine B-Physics Of Condensed Matter Statistical Mechanics Electronic Optical And Magnetic Properties, 79, 793-815
  29. Theoretical Investigation Of The Geometric And Optical Properties Of Neutral And Charged Oligophenylenes, Zojer, E; Cornil, J; Leising, G; Bredas, JL, Physical Review B, 59, 7957-7968
  30. Excited-State Electronic Structure Of Conjugated Oligomers And Polymers: A Quantum-Chemical Approach To Optical Phenomena, Bredas, JL; Cornil, J; Beljonne, D; dos Santos, D; Shuai, ZG, Accounts Of Chemical Research, 32, 267-276
  31. Local Density Functional Study Of Copper Clusters: A Comparison Between Real Clusters, Model Surface Clusters, And The Actual Metal Surface, Crispin, X; Bureau, C; Geskin, V; Lazzaroni, R; Bredas, JL, European Journal Of Inorganic Chemistry, , 349-360
  32. Electroluminescence In Conjugated Polymers, Friend, RH; Gymer, RW; Holmes, AB; Burroughes, JH; Marks, RN; Taliani, C; Bradley, DDC; Dos Santos, DA; Bredas, JL; Logdlund, M; Salaneck, WR, Nature, 397, 121-128
  33. Control Of The Electrografting Of Polymers Onto Transition Metal Surfaces Through Solvent Vs Monomer Adsorption, Crispin, X; Lazzaroni, R; Geskin, V; Baute, N; Dubois, P; Jerome, R; Bredas, JL, Journal Of The American Chemical Society, 121, 176-187
  34. Structure-Second-Order Polarizability Relationship In Chromophores Incorporating A Spacer: A Joint Experimental And Theoretical Study, Maertens, C; Detrembleur, C; Dubois, P; Jerome, R; Boutton, C; Persoons, A; Kogej, T; Bredas, JL, Chemistry-A European Journal, 5, 369-380
  1. New Organic And Polymeric Materials For Thin Film Luminescent Devices, Holmes, AB; Chuah, BS; Li, XC; Cacialli, F; Morgado, J; Sirringhaus, H; dos Santos, DA; Moratti, SC; Brédas, JL; Friend, RH; Garnier, F, SPIE – The International Society of Optical Engineering, 3476, 24-31
  2. Organized Semiconducting Nanostructures From Conjugated Block Copolymer Self-Assembly, Leclere, P; Parente, V; Bredas, JL; Francois, B; Lazzaroni, R, Chemistry Of Materials, 10, 4010-4014
  3. Mechanisms For Enhancement Of Two-Photon Absorption In Donor-Acceptor Conjugated Chromophores, Kogej, T; Beljonne, D; Meyers, F; Perry, JW; Marder, SR; Bredas, JL, Chemical Physics Letters, 298, 1-6
  4. Exciton Binding Energy In The Strong Correlation Limit Of Conjugated Chains, Shuai, Z; Bredas, JL; Pati, SK; Ramasesha, S, Physical Review B, 58, 15329-15332
  5. Interchain Interaction In A Prototypical Conjugated Oligomer From Polarized Absorption At 4.2 K: Alpha-Sexithienyl Single Crystal, Muccini, M; Lunedei, E; Taliani, C; Beljonne, D; Cornil, J; Bredas, JL, Journal Of Chemical Physics, 109, 10513-10520
  6. Bis(1,3-Dithiole) Polymethine Dyes For Third-Order Nonlinear Optics - Synthesis, Electronic Structure, Nonlinear Optical Properties, And Structure-Property Relations, Simonsen, KB; Geisler, T; Petersen, JC; Arentoft, J; Sommer-Larsen, P; Greve, DR; Jakobsen, C; Becher, J; Malagoli, M; Bredas, JL; Bjornholm, T, European Journal Of Organic Chemistry, , 2747-2757
  7. Investigation Of Exciton Coupling In Oligothiophenes By Circular Dichroism Spectroscopy, Langeveld-Voss, BMW; Beljonne, D; Shuai, Z; Janssen, RAJ; Meskers, SCJ; Meijer, EW; Bredas, JL, Advanced Materials, 10, 1343
  8. Synthesis, Crystal Structure, And Electronic Structure Of A 5,15-Dialkylideneporphyrin: A TCNQ/Porphyrin Hybrid, Blake, IM; Anderson, HL; Beljonne, D; Bredas, JL; Clegg, W, Journal Of The American Chemical Society, 120, 10764-10765
  9. Evolution Of The Third-Order Molecular Polarizability In Polyenes: A Local View From Atomic Charge Derivatives, Geskin, VM; Bredas, JL, Journal Of Chemical Physics, 109, 6163-6168
  10. Evidence For The Physisorption Of Aluminum On The Surface Of Electroluminescent Sexiphenyl, Koch, N; Yu, LM; Parente, V; Lazzaroni, R; Johnson, RL; Leising, G; Pireaux, JJ; Bredas, JL, Advanced Materials, 10, 1038-1043
  11. A Theoretical Study Of The Interfaces Between Aluminium And Poly(Ethylene Terephthalate), Polycaprolactone, And Polystyrene: Illustration Of The Reactivity Of Aluminium Towards Ester Groups And Phenyl Rings, Calderone, A; Lazzaroni, R; Bredas, JL, Macromolecular Theory And Simulations, 7, 509-520
  12. Design Of Organic Molecules With Large Two-Photon Absorption Cross Sections, Albota, M; Beljonne, D; Bredas, JL; Ehrlich, JE; Fu, JY; Heikal, AA; Hess, SE; Kogej, T; Levin, MD; Marder, SR; McCord-Maughon, D; Perry, JW; Rockel, H; Rumi, M; Subramaniam, C; Webb, WW; Wu, XL; Xu, C, Science, 281, 1653-1656
  13. Redox States Of Long Oligothiophenes: Two Polarons On A Single Chain, van Haare, JAEH; Havinga, EE; van Dongen, JLJ; Janssen, RAJ; Cornil, J; Bredas, JL, Chemistry-A European Journal, 4, 1509-1522
  14. Linear And Nonlinear Optical Response Of Polyenes: A Density Matrix Renormalization Group Study, Shuai, Z; Bredas, JL; Saxena, A; Bishop, AR, Journal Of Chemical Physics, 109, 2549-2555
  15. Effect Of Medium Polarity On The Second-Order Polarizability Of An Octupolar Chromophore: An Ab Initio Reaction Field Study Of Triaminotrinitrobenzene, Dehu, C; Geskin, V; Persoons, A; Bredas, JL, European Journal Of Organic Chemistry, , 1267-1269
  16. Geometric And Electronic Structure Of Alkane/Benzene, Ethylbenzene/Benzene, And Alkane/Ethylbenzene Complexes: Towards The Characterization Of Polymer Alloy Composites, Calderone, A; Lazzaroni, R; Bredas, JL, Synthetic Metals, 95, 1-15
  17. Polarized Reflectivity Spectra Of Stretch-Oriented Poly(P-Phenylene-Vinylene), Comoretto, D; Dellepiane, G; Moses, D; Cornil, J; dos Santos, DA; Bredas, JL, Chemical Physics Letters, 289, 1-7
  18. Comparison Of Density Matrix Renormalization Group Calculations With Electron-Hole Models Of Exciton Binding In Conjugated Polymers, Yaron, D; Moore, EE; Shuai, Z; Bredas, JL, Journal Of Chemical Physics, 108, 7451-7458
  19. Charge Separation In Localized And Delocalized Electronic States In Polymeric Semiconductors, Kohler, A; dos Santos, DA; Beljonne, D; Shuai, Z; Bredas, JL; Holmes, AB; Kraus, A; Mullen, K; Friend, RH, Nature, 392, 903-906
  20. First-Principles Calculation Of Bulk Susceptibility For Second-Harmonic Generation In Crystalline C-60, Munn, RW; Shuai, Z; Bredas, JL, Journal Of Chemical Physics, 108, 5975-5980
  21. Electronic Structure Of Emeraldine And Pernigraniline Base: A Joint Theoretical And Experimental Study, Barta, P; Kugler, T; Salaneck, WR; Monkman, AP; Libert, J; Lazzaroni, R; Bredas, JL, Synthetic Metals, 93, 83-87
  22. The Effects Of Phenyl-Di-Substitution Of PPV On Its Photophysical And Photostability Properties, Koch, ATH; Beljonne, D; Harrison, NT; Bredas, JL; Haylett, N; Daik, R; Feast, WJ; Friend, RH, Optical Materials, 9, 145-149
  23. The Vibrational Signature Of The Aluminum/Polythiophene Interface, Parente, V; Pourtois, G; Lazzaroni, R; Bredas, JL; Ruani, G; Murgia, M; Zamboni, R, Advanced Materials, 10, 319-324
  24. Electronic Structure Of The Lowest Singlet And Triplet Excited States In Cyano-Substituted Oligo(Phenylene Vinylene)s, dos Santos, DA; Beljonne, D; Cornil, J; Bredas, JL, Chemical Physics, 227, 1-10
  25. Influence Of Interchain Interactions On The Absorption And Luminescence Of Conjugated Oligomers And Polymers: A Quantum-Chemical Characterization, Cornil, J; dos Santos, DA; Crispin, X; Silbey, R; Bredas, JL, Journal Of The American Chemical Society, 120, 1289-1299
  26. Relation Between Plasmons And Ion-Induced Damaging In Cellulosic Derivatives, Jussiaux-Devilder, C; Moliton, JP; Lazzaroni, R; Bredas, JL; Kihn, Y; Sevely, J, Journal Of Polymer Science Part B-Polymer Physics, 36, 319-323
  27. The Influence Of Thermal Annealing On The Morphology Of Sexithienyl Thin Films, Viville, P; Lazzaroni, R; Bredas, JL; Moretti, P; Samori, P; Biscarini, F, Advanced Materials, 10, 57
  28. Electro-Optic Response Of Chiral Helicenes In Isotropic Media, Beljonne, D; Shuai, Z; Bredas, JL; Kauranen, M; Verbiest, T; Persoons, A, Journal Of Chemical Physics, 108, 1301-1304
  1. Electroluminescence In Semiconducting Conjugated Polymers And Oligomers: A Quantum-Chemical Approach, Bredas, JL; Beljonne, D; Cornil, J; dosSantos, DA; Shuai, Z, Philosophical Transactions Of The Royal Society Of London Series A-Mathematical Physical And Engineering Sciences, 355, 735-746
  2. A Novel Biodegradable And Biocompatible Ceramer Prepared By The Sol-Gel Process, Tian, D; Dubois, P; Grandfils, C; Jerome, R; Viville, P; Lazzaroni, R; Bredas, JL; Leprince, P, Chemistry Of Materials, 9, 871-874
  3. An Ab Initio And Semiempirical Study Of The First- And Third-Order Polarizabilities In Benzene And Thiophene Derivatives: Electron Correlation Effects, Adant, C; Bredas, JL; Dupuis, M, Journal Of Physical Chemistry A, 101, 3025-3031
  4. Highly Polar Chromophores In Poled Polymer Films Characterized By Second Harmonic Generation, Cross, GH; Healy, D; Szablewski, M; Bloor, D; Malagoli, M; Kogej, T; Beljonne, D; Bredas, JL, Chemical Physics Letters, 268, 36-42
  5. Highly Dipolar, Optically Nonlinear Adducts Of Tetracyano-P-Quinodimethane: Synthesis, Physical Characterization, And Theoretical Aspects, Szablewski, M; Thomas, PR; Thornton, A; Bloor, D; Cross, GH; Cole, JM; Howard, JAK; Malagoli, M; Meyers, F; Bredas, JL; Wenseleers, W; Goovaerts, E, Journal Of The American Chemical Society, 119, 3144-3154
  6. Physico-Chemical Characterization Of The Effect Of Excimer Laser Irradiation On PMMA Thin Films, Beauvois, S; Renaut, D; Lazzaroni, R; Laude, LD; Bredas, JL, Applied Surface Science, 110, 218-221
  7. Geometric Structure And Torsional Potential Of Biisothianaphthene. A Comparative DFT And Ab Initio Study, Viruela, PM; Viruela, R; Orti, E; Bredas, JL, Journal Of The American Chemical Society, 119, 1360-1369
  8. General Model For The Description Of The Third-Order Optical Nonlinearities In Conjugated Systems: Application To The All-Trans Beta-Carotene Molecule, Beljonne, D; Cornil, J; Shuai, Z; Bredas, JL; Rohlfing, F; Bradley, DDC; Torruellas, WE; Ricci, V; Stegeman, GI, Physical Review B, 55, 1505-1516
  9. Photo-Oxidation Of Poly(P-Phenylenevinylene), Xing, KZ; Johansson, N; Beamson, G; Clark, DT; Brédas, JL; Salaneck, WR, Advanced Materials, 9, 1027-1031
  10. Quantum Confinement Effects On The Ordering Of The Lowest-Lying Excited States In Conjugated Polymers, Shuai, Z; Brédas, JL; Pati, SK; Ramasesha, S, SPIE - The International Society of Optical Engineering, 3145, 283-302
  11. Cyano-Substituted Polyparaphenylene Vinylene: Description Of The Nature Of The Lowest Singlet And Triplet Excited States, Cornil, J; dos Santos, DA; Beljonne, D; Brédas, JL, SPIE - The International Society of Optical Engineering, 3148, 72-81
  12. The Dominant One- And Two-Photon Excited States In The Nonlinear Optical Response Of Octatetraene: Ab Initio Versus Semiempirical Theoretical Descriptions, Beljonne, D; Shuai, Z; SerranoAndres, L; Bredas, JL, Chemical Physics Letters, 279, 1-8
  13. The Low-Lying Excited States Of Luminescent Conjugated Polymers: Theoretical Insight Into The Nature Of The Photogenerated Species And Intersystem Crossing Processes, Cornil, J; Beljonne, D; Heeger, AJ; Bredas, JL, Photonic And Optoelectronic Polymers, 672, 308-321
  14. Photoluminescence Spectra Of Oligo-Paraphenylenevinylenes: A Joint Theoretical And Experimental Characterization, Cornil, J; Beljonne, D; Heller, CM; Campbell, IH; Laurich, BK; Smith, DL; Bradley, DDC; Mullen, K; Bredas, JL, Chemical Physics Letters, 278, 139-145
  15. Conformational Analysis And Optical Characterization Of Oligothiophene Inclusion Compounds, Bongiovanni, G; Botta, C; Bredas, JL; Cornil, J; Ferro, DR; Mura, A; Piaggi, A; Tubino, R, Chemical Physics Letters, 278, 146-153
  16. From Neutral Oligoanilines To Polyanilines: A Theoretical Investigation Of The Chain-Length Dependence Of The Electronic And Optical Properties, Libert, J; Cornil, J; dosSantos, DA; Bredas, JL, Physical Review B, 56, 8638-8650
  17. Quantum-Confinement Effects On The Ordering Of The Lowest-Lying Excited States In Conjugated Chains, Shuai, Z; Bredas, JL; Pati, SK; Ramasesha, S, Physical Review B, 56, 9298-9301
  18. Excimer Laser Interaction With Mixed PMMA-Copper Acetylacetonate Films, Beauvois, S; Renaut, D; Jadin, A; Lazzaroni, R; Laude, LD; Bredas, JL, Nuclear Instruments & Methods In Physics Research Section B-Beam Interactions With Materials And Atoms, 131, 167-171
  19. Electronic Structure And Optical Properties Of Electroluminescent Spiro-Type Molecules, Johansson, N; dosSantos, DA; Guo, S; Cornil, J; Fahlman, M; Salbeck, J; Schenk, H; Arwin, H; Bredas, JL; Salanek, WR, Journal Of Chemical Physics, 107, 2542-2549
  20. Effects Of Intermolecular Interactions On The Lowest Excited State In Luminescent Conjugated Polymers And Oligomers, Cornil, J; Heeger, AJ; Bredas, JL, Chemical Physics Letters, 272, 463-470
  21. Binding Energy Of 1B(U) Singlet Excitons In The One-Dimensional Extended Hubbard-Peierls Model, Shuai, Z; Pati, SK; Su, WP; Bredas, JL; Ramasesha, S, Physical Review B, 55, 15368-15371
  22. Electronic Structure Of Molecular Van Der Waals Complexes With Benzene: Implications For The Contrast In Scanning Tunneling Microscopy Of Molecular Absorbates On Graphite, Lazzaroni, R; Calderone, A; Bredas, JL; Rabe, JP, Journal Of Chemical Physics, 107, 99-105
  23. Conjugated Polymer Surfaces And Interfaces For Light-Emitting Devices, Salaneck, WR; Bredas, JL, Mrs Bulletin, 22, 46-51
  24. Investigation Of The Linear And Nonlinear Optical Response Of Edge-Linked Conjugated Zinc Porphyrin Oligomers By Optical Spectroscopy And Configuration Interaction Techniques, Beljonne, D; OKeefe, GE; Hamer, PJ; Friend, RH; Anderson, HL; Bredas, JL, Journal Of Chemical Physics, 106, 9439-9460
  25. Tuning Of The Electronic And Optical Properties Of Oligothiophenes Via Cyano Substitution: A Joint Experimental And Theoretical Study, Demanze, F; Cornil, J; Garnier, F; Horowitz, G; Valat, P; Yassar, A; Lazzaroni, R; Bredas, JL, Journal Of Physical Chemistry B, 101, 4553-4558
  26. Geometric Structure And Second-Order Nonlinear Optical Response Of Substituted Calix[4]Arene Molecules: A Theoretical Study, Brouyere, E; Persoons, A; Bredas, JL, Journal Of Physical Chemistry A, 101, 4142-4148
  27. Theoretical Characterization Of The Vibrational Properties At The Aluminum/Trans-Polyacetylene Interface, Parente, V; Fredriksson, C; Selmani, A; Lazzaroni, R; Bredas, JL, Journal Of Physical Chemistry B, 101, 4193-4202
  28. Large Molecular Third-Order Optical Nonlinearities In Polarized Carotenoids, Marder, SR; Torruellas, WE; BlanchardDesce, M; Ricci, V; Stegeman, GI; Gilmour, S; Bredas, JL; Li, J; Bublitz, GU; Boxer, SG, Science, 276, 1233-1236
  29. Nonlinear Optical Response Of MX Chains In A One-Band Extended Peierls-Hubbard Model, Saxena, A; Shuai, Z; Bredas, JL; Bishop, AR, Synthetic Metals, 86, 2231-2232
  30. DMRG Studies Of The 1B Exciton Binding Energy And 1B/2A Crossover In An Extended Hubbard-Peierls Model, Shuai, Z; Pati, SK; Bredas, JL; Ramasesha, S, Synthetic Metals, 85, 1011-1014
  31. Low-Lying Electronic Excitations And Nonlinear Optic Properties Of Polymers Via Symmetrized Density Matrix Renormalization Group Method, Ramasesha, S; Pati, SK; Krishnamurthy, HR; Shuai, Z; Bredas, JL, Synthetic Metals, 85, 1019-1022
  32. Spatial Extent Of The Singlet And Triplet Excitons In Cyano-Substituted Oligo(Phenylene Vinylene)s, dosSantos, DA; Beljonne, D; Cornil, J; Bredas, JL, Synthetic Metals, 85, 1025-1026
  33. Towards A Coherent Description Of The Nature Of The Photogenerated Species In The Lowest-Lying One-Photon Allowed Excited State Of Isolated Conjugated Chains, Cornil, J; Beljonne, D; Bredas, JL, Synthetic Metals, 85, 1029-1030
  34. Theoretical Investigation Of The Chemical Structure And Vibrational Signature At The Aluminum-Polythiophene Interface, Parente, V; Pourtois, G; Lazzaroni, R; Bredas, JL, Synthetic Metals, 85, 1031-1034
  35. Theoretical Modeling Of The Interaction Of Water With Poly-P-Phenylene Vinylene, dosSantos, DA; Parente, V; Lazzaroni, R; Xing, KZ; Salaneck, WR; Bredas, JL, Synthetic Metals, 85, 1131-1132
  36. Nonlinear Optical Properties Of Pi-Conjugated Compounds Incorporating A Saturated Spacer Group, Kogej, T; Meyers, F; Marder, SR; Silbey, R; Bredas, JL, Synthetic Metals, 85, 1141-1142
  37. Electronic And Chemical Structure Of Conjugated Polymer Surfaces And Interfaces: Implications For Polymer-Based Electronic Devices, Salaneck, WR; Logdlund, M; Birgersson, J; Barta, P; Lazzaroni, R; Bredas, JL, Synthetic Metals, 85, 1219-1220
  38. Influence Of Silicon Atoms On The Pi-Conjugation In Electroluminescent Polymers, Pohl, A; Bredas, JL, International Journal Of Quantum Chemistry, 63, 437-440
  39. Electronic Structure And Optical Properties Of Conducting And Semiconducting Conjugated Oligomers And Polymers: An Overview Of The Quantum-Mechanical Approaches, Bredas, JL, Synthetic Metals, 84, 3-10
  40. Electrochemical Synthesis Of New Electroactive Polymers From Dithienylene-Vinylene Derivatives, Jerome, C; Maertens, C; Mertens, M; Jerome, R; Quattrocchi, C; Lazzaroni, R; Bredas, JL, Synthetic Metals, 84, 163-164
  41. Observation Of Photoinduced Charge Transfer In Conducting Polymer Fullerene Composites Using A High-Bandgap Polymer, Miller, EK; Lee, K; Cornil, J; Pei, Q; Wudl, F; Heeger, AJ; Bredas, JL, Synthetic Metals, 84, 631-632
  42. Efficient Green Light Emitting Diodes From A Phenylated Derivative Of Poly(P-Phenylene-Vinylene), Cacialli, F; Friend, RH; Haylett, N; Daik, R; Feast, WJ; dosSantos, DA; Bredas, JL, Synthetic Metals, 84, 643-644
  43. UV Photocurrent Spectroscopy In Poly(P-Phenylene Vinylene) And Derivatives, Kohler, A; dosSantos, DA; Beljonne, D; Shuai, Z; Bredas, JL; Friend, RH; Moratti, SC; Holmes, AB, Synthetic Metals, 84, 675-676
  44. A Joint Experimental And Theoretical Study Of The Interaction Between Aluminum And Electroluminescent Polymers: Cyano Derivatives Of Poly(P-Phenylene Vinylene), Fahlman, M; Salaneck, WR; Moratti, SC; Holmes, AB; Bredas, JL, Chemistry-A European Journal, 3, 286-293
  45. Electronic Structure And Linear And Nonlinear Optical Properties Of Symmetrical And Unsymmetrical Squaraine Dyes, Meyers, F; Chen, CT; Marder, SR; Bredas, JL, Chemistry-A European Journal, 3, 530-537
  1. Electrochemical Synthesis And Characterization Of The Electronic Structure Of New Conjugated Polymers From Dithienylene Vinylene Derivatives, Jerome, C; Maertens, C; Mertens, M; Jerome, R; Quattrocchi, C; Lazzaroni, R; Bredas, JL, Synthetic Metals, 83, 103-109
  2. Theoretical And Experimental Studies Of The Interaction Between Sodium And Oligothiophenes, Logdlund, M; Dannetun, P; Fredriksson, C; Salaneck, WR; Bredas, JL, Physical Review B, 53, 16327-16333
  3. Geometric And Electronic Structure Of The Butadiene/Benzene Complex As A Model For The Polyene/Graphite Interface, Calderone, A; Lazzaroni, R; Bredas, JL, Synthetic Metals, 82, 225-229
  4. Efficient Green Light-Emitting Diodes From A Phenylated Derivative Of Poly(P-Phenylene-Vinylene), Cacialli, F; Friend, RH; Haylett, N; Daik, R; Feast, WJ; dosSantos, DA; Bredas, JL, Applied Physics Letters, 69, 3794-3796
  5. Morphology And Roughness Of High-Vacuum Sublimed Oligomer Thin Films, Biscarini, F; Samori, P; Lauria, A; Ostoja, P; Zamboni, R; Taliani, C; Viville, P; Lazzaroni, R; Bredas, JL, Thin Solid Films, 284, 439-443
  6. Electronic Properties Of Dinuclear Ruthenium-Acetylide Complexes: Electrochemical And Theoretical Characterization, Beljonne, D; Colbert, MCB; Raithby, PR; Friend, RH; Bredas, JL, Synthetic Metals, 81, 179-183
  7. The Optical, Electronic, And Electroluminescent Properties Of Novel Poly(P-Phenylene)-Related Polymers, Remmers, M; Neher, D; Gruner, J; Friend, RH; Gelinck, GH; Warman, JM; Quattrocchi, C; dosSantos, DA; Bredas, JL, Macromolecules, 29, 7432-7445
  8. Excited States In Bis-Substituted Polyenes: Configuration Interaction Description Of The Vertical Excitation Energies And Nonlinear Optical Properties, Beljonne, D; Meyers, F; Bredas, JL, Synthetic Metals, 80, 211-222
  9. Symmetrized Density-Matrix Renormalization-Group Method For Excited States Of Hubbard Models, Ramasesha, S; Pati, SK; Krishnamurthy, HR; Shuai, Z; Bredas, JL, Physical Review B, 54, 7598-7601
  10. Linear And Nonlinear Optical Response Of Dimethyl-Amino-Nitro-Stilbene (DANS): Coupled Oscillator Representation Versus Sum-Over-States Picture, Beljonne, D; Bredas, JL; Chen, G; Mukamel, S, Chemical Physics, 210, 353-366
  11. Microdomain Morphology Analysis Of Block Copolymers By Atomic Force Microscopy With Phase Detection Imaging, Leclere, P; Lazzaroni, R; Bredas, JL; Yu, JM; Dubois, P; Jerome, R, Langmuir, 12, 4317-4320
  12. Spatial Extent Of The Singlet And Triplet Excitons In Transition Metal-Containing Poly-Ynes, Beljonne, D; Wittmann, HF; Kohler, A; Graham, S; Younus, M; Lewis, J; Raithby, PR; Khan, MS; Friend, RH; Bredas, JL, Journal Of Chemical Physics, 105, 3868-3877
  13. Acrylonitrile On Cu(100): A Density Functional Theoretical Study Of Adsorption And Electrochemical Grafting, Geskin, VM; Lazzaroni, R; Mertens, M; Jerome, R; Bredas, JL, Journal Of Chemical Physics, 105, 3278-3289
  14. A Combined Theoretical And Experimental Study Of The Electrochemically Induced Chemisorption Of Acrylonitrile On Nickel, Copper, And Zinc, Fredriksson, C; Lazzaroni, R; Bredas, JL; Mertens, M; Jerome, R, Chemical Physics Letters, 258, 356-362
  15. Influence Of Chain Length And Derivatization On The Lowest Singlet And Triplet States And Intersystem Crossing In Oligothiophenes, Beljonne, D; Cornil, J; Friend, RH; Janssen, RAJ; Bredas, JL, Journal Of The American Chemical Society, 118, 6453-6461
  16. Excimer Laser-Induced Surface Modifications Of Biocompatible Polymer Blends, Viville, P; Beauvois, S; Lambin, G; Lazzaroni, R; Bredas, JL; Kolev, K; Laude, L, Applied Surface Science, 96-8, 558-562
  17. Towards A Better Understanding Of Polymer-Based Light-Emitting Diodes: A Theoretical Insight Into The Basic Phenomena, Cornil, J; Beljonne, D; dosSantos, DA; Shuai, Z; Bredas, JL, Synthetic Metals, 78, 209-217
  18. Experimental And Theoretical Studies Of The Pi-Electronic Structure Of Conjugated Polymers And The Low Work Function Metal/Conjugated Polymer Interaction, Fahlman, M; Bredas, JL; Salaneck, WR, Synthetic Metals, 78, 237-246
  19. Photoemission Study Of Copper Deposition On The Conjugated Polymer Poly-3-Hexylthiophene And Comparison With Quantum-Chemical Calculations, Ghijsen, J; Lazzaroni, R; Parente, V; Bredas, JL; Lachkar, A; Selmani, A; Johnson, RL, Journal Of Electron Spectroscopy And Related Phenomena, 78, 355-358
  20. Theoretical Investigation Of The Molecular Structure Of Aluminium Triisopropoxide And Its Complexes In Ring-Opening Polymerization, Parente, V; Bredas, JL; Dubois, P; Ropson, N; Jerome, R, Macromolecular Theory And Simulations, 5, 525-546
  21. Relation Between Plasmons And The Valence-Band Density Of States In Polymethylmethacrylate (PMMA): Influence Of Ion Irradiation On Damage Selectivity, Moliton, JP; Jussiaux, C; Trigaud, T; Lazzaroni, R; Lhost, O; Bredas, JL; Kihn, Y; Sevely, J, Philosophical Magazine B-Physics Of Condensed Matter Statistical Mechanics Electronic Optical And Magnetic Properties, 73, 763-778
  22. The Exciton Binding Energy In Luminescent Conjugated Polymers, Bredas, JL; Cornil, J; Heeger, AJ, Advanced Materials, 8, 447-&
  23. Theoretical Study Of Torsion And Its Effect On The Structural And Electronic Properties Of Cyano-Substituted Poly(P-Phenylene Vinylene) And Its Derivatives, Fahlman, M; Bredas, JL, Synthetic Metals, 78, 39-46
  24. Two-Band Tight-Binding Model For Push-Pull Polyenes, Suzuki, YY; Beljonne, D; Bredas, JL, Journal Of Chemical Physics, 104, 7270-7283
  25. Electroabsorption Spectroscopy Of Beta-Carotene And Alpha Omega-Bis(1,1-Dimethylheptyl)-1,3,5,7,9,11,13,15-Hexadecaoctaene, Rohlfing, F; Bradley, DDC; Eberhardt, A; Mullen, K; Cornil, J; Beljonne, D; Bredas, JL, Synthetic Metals, 76, 35-38
  26. Theoretical Investigation Of The Lowest Singlet And Triplet Excited States In Oligo(Phenylene Vinylene)S And Oligothiophenes, Beljonne, D; Cornil, J; Bredas, JL; Friend, RH, Synthetic Metals, 76, 61-65
  27. Poly(P-Phenylene Vinylene) As Active Layer In Light-Emitting Diodes: A Theoretical Investigation Of The Effects Of Derivatization, Cornil, J; Beljonne, D; dosSantos, DA; Bredas, JL, Synthetic Metals, 76, 101-104
  28. Chemical Structure And Vibrational Properties Of Metal Conjugated Polymer Interfaces: A Theoretical Study, Lazzaroni, R; Parente, V; Fredriksson, C; Bredas, JL, Synthetic Metals, 76, 225-228
  29. The Coupled Electronic Oscillators Vs The Sum-Over-States Pictures For The Optical Response Of Octatetraene, Chen, GH; Mukamel, S; Beljonne, D; Bredas, JL, Journal Of Chemical Physics, 104, 5406-5414
  30. Intermolecular Interactions In The Molecular Ferromagnetic Nh4Ni(Mnt)(2)Center Dot H2O, Coomber, AT; Beljonne, D; Friend, RH; Bredas, JL; Charlton, A; Robertson, N; Underhill, AE; Kurmoo, M; Day, P, Nature, 380, 144-146
  31. Nonlinear Optical Properties Of Nitro-Aniline And Methyl-Aniline Compounds - An Exact Correction Vector INDO-SDCI Study, Shuai, Z; Ramasesha, S; Bredas, JL, Chemical Physics Letters, 250, 14-18
  32. Electroabsorption In Poly(Paraphenylene Vinylene) And Pti: Exciton Vs Band Descriptions, Shuai, Z; Beljonne, D; Bredas, JL; Saxena, A; Bishop, AR, Solid State Communications, 97, 1063-1067
  33. The Metal-On-Polymer Interface In Polymer Light Emitting Diodes, Salaneck, WR; Bredas, JL, Advanced Materials, 8, 48-&
  34. Poling Behavior Of Optical Absorption Spectra In Carbazoles With One- And Two-Dimensional Charge-Transfer Character, Isoshima, T; Wada, T; Zhang, YD; Brouyere, E; Bredas, JL; Sasabe, H, Journal Of Chemical Physics, 104, 2467-2475
  35. The Reaction Of Poly(P-Phenylenevinylene) With Air, Xing, KZ; Fahlman, M; Lögdlund, M; dos Santos, DA; Parente, V; Lazzaroni, R; Bredas, JL; Gymer, RW; Salaneck, WR, Advanced Materials, 8, 971-974
  36. Two-Dimensional Charge-Transfer Molecular Design: Control Of Anisotropy In Linear And Nonlinear Optical Properties For Photonic Device Applications, Isoshima, T; Wada, T; Zhang, YD; Aoyama, T; Brédas, JL; Sasabe, H, Nonlinear Optics, 15, 65-68
  1. Vibronic Structure In The Optical Absorption Spectra Of Phenylene Vinylene Oligomers: A Joint Experimental And Theoretical Study, Cornil, J; Beljonne, D; Shuai, Z; Hagler, TW; Campbell, I; Bradley, DDC; Bredas, JL; Spangler, CW; Mullen, K, Chemical Physics Letters, 247, 425-432
  2. Ab-Initio Study Of The Nonlinear-Optical Properties Of Urea - Electron Correlation And Dispersion Effects, ADANT, C; DUPUIS, M; BREDAS, JL, International Journal Of Quantum Chemistry, , 497-507
  3. Hyperpolarizabilities Of Push-Pull Polyenes - Molecular-Orbital And Valence-Bond Charge-Transfer Models, PERRY, JW; MARDER, SR; MEYERS, F; LU, D; CHEN, G; GODDARD, WA; BREDAS, JL; PIERCE, BM, Polymers For Second-Order Nonlinear Optics, 601, 45-56
  4. Experimental And Theoretical Investigation Of The 2nd-Order Optical-Properties Of The Chromophore Retinal And Its Derivatives - Modeling The Bacteriorhodopsin Binding Pocket, HENDRICKX, E; DEHU, C; CLAYS, K; BREDAS, JL; PERSOONS, A, Polymers For Second-Order Nonlinear Optics, 601, 82-94
  5. Polaron-Pair Binding Due To Interchain Coupling In Conjugated Polymers, SHUAI, Z; BREDAS, JL, Physical Review B, 52, 13730-13733
  6. Two-Photon Absorption And Third-Harmonic Generation Of Di-Alkyl-Amino-Nitro-Stilbene (DANS) - A Joint Experimental And Theoretical-Study, BELJONNE, D; BREDAS, JL; CHA, M; TORRUELLAS, WE; STEGEMAN, GI; HOFSTRAAT, JW; HORSTHUIS, WHG; MOHLMANN, GR, Journal Of Chemical Physics, 103, 7834-7843
  7. Correction Vector Method For Exact Dynamic NLO Coefficients In Restricted Configuration Space, RAMASESHA, S; SHUAI, Z; BREDAS, JL, Chemical Physics Letters, 245, 224-229
  8. Electronic-Structure Of Statistical And Block Poly(P-Phenylene)-Polyacetylene Copolymers, QUATTROCCHI, C; DOSSANTOS, DA; BREDAS, JL, Synthetic Metals, 74, 187-189
  9. Solvent Effects On The Second-Order Nonlinear-Optical Response Of Pi-Conjugated Molecules - A Combined Evaluation Through Self-Consistent Reaction Field Calculations And Hyper-Rayleigh Scattering Measurements, DEHU, C; MEYERS, F; HENDRICKX, E; CLAYS, K; PERSOONS, A; MARDER, SR; BREDAS, JL, Journal Of The American Chemical Society, 117, 10127-10128
  10. Poly(P-Phenylene-Vinylene) In Light-Emitting-Diodes - Nature Of The Lowest Singlet And Triplet Excited-States And Effects Of Derivatization, CORNIL, J; BELJONNE, D; BREDAS, JL, Abstracts Of Papers Of The American Chemical Society, 209, 258-PMSE
  11. Theoretical-Analysis Of Conjugated Polymers With A Degenerate Ground-State - Type-I And Type-II Soliton Charge Storage States In Poly(1,6-Heptadiyne) And Derivatives, LOGDLUND, M; BREDAS, JL, Journal Of Chemical Physics, 103, 4201-4210
  12. Nature Of Optical-Transitions In Conjugated Oligomers. I. Theoretical Characterization Of Neutral And Doped Oligo(Phenylenevinylene)s, CORNIL, J; BELJONNE, D; BREDAS, JL, Journal Of Chemical Physics, 103, 834-841
  13. Nature Of Optical-Transitions In Conjugated Oligomers. II. Theoretical Characterization Of Neutral And Doped Oligothiophenes, CORNIL, J; BELJONNE, D; BREDAS, JL, Journal Of Chemical Physics, 103, 842-849
  14. News And Views - Heresy In The World Of Organic Nonlinear Optics, BREDAS, JL; MEYERS, F, Nature, 375, 362-363
  15. Electronic-Structure Of Pristine And Sodium-Doped Cyano-Substituted Poly(2,5-Dihexyloxy-P-Phenylenevinylene) - A Combined Experimental And Theoretical-Study, FAHLMAN, M; BROMS, P; DOSSANTOS, DA; MORATTI, SC; JOHANSSON, N; XING, K; FRIEND, RH; HOLMES, AB; BREDAS, JL; SALANECK, WR, Journal Of Chemical Physics, 102, 8167-8174
  16. Conjugated Polymers And Oligomers - Designing Novel Materials Using A Quantum-Chemical Approach, BREDAS, JL, Advanced Materials, 7, 263-274
  17. Nature Of The Optical Transitions In Charged Oligothiophenes, CORNIL, J; BREDAS, JL, Advanced Materials, 7, 295-297
  18. Electronic-Structure Of Phenylene Vinylene Oligomers - Influence Of Donor-Acceptor Substitutions, CORNIL, J; DOSSANTOS, DA; BELJONNE, D; BREDAS, JL, Journal Of Physical Chemistry, 99, 5604-5611
  19. Two-Band Model Description Of Electroabsorption And Third-Harmonic Generation In 1-DMX Linear-Chains, SHUAI, Z; BREDAS, JL; SAXENA, A; GAMMEL, JT; BISHOP, AR, Synthetic Metals, 71, 1685-1686
  20. Theoretical And Experimental Investigation Of The Second-Order Nonlinear-Optical Properties Of Retinal And Derivatives, DEHU, C; HENDRICKX, E; CLAYS, K; PERSOONS, A; BREDAS, JL, Synthetic Metals, 71, 1697-1698
  21. Theoretical Investigation Of The Second-Order Nonlinear-Optical Properties Of Calix[4]Arene Molecules, BROUYERE, E; BREDAS, JL, Synthetic Metals, 71, 1699-1700
  22. Chemical And Electronic Aspects Of Metal Conjugated Polymer Interfaces - Implications For Electronic Devices, LAZZARONI, R; LOGDLUND, M; CALDERONE, A; BREDAS, JL; DANNETUN, P; FAUQUET, C; FREDRIKSSON, C; STAFSTROM, S; SALANECK, WR, Synthetic Metals, 71, 2159-2162
  23. The Bacteriorhodopsin Chromophore Retinal And Derivatives - An Experimental And Theoretical Investigation Of The Second-Order Optical-Properties, HENDRICKX, E; CLAYS, K; PERSOONS, A; DEHU, C; BREDAS, JL, Journal Of The American Chemical Society, 117, 3547-3555
  24. Optical-Absorption Spectra Of Aromatic Isothianaphthene Oligomers - Theory And Experiment, QUATTROCCHI, C; LAZZARONI, R; BREDAS, JL; KIEBOOMS, R; VANDERZANDE, D; GELAN, J; VANMEERVELT, L, Journal Of Physical Chemistry, 99, 3932-3938
  25. Experimental And Theoretical-Studies Of The Electronic-Structure Of Poly(P-Phenylenevinylene) And Some Ring-Substituted Derivatives, FAHLMAN, M; LOGDLUND, M; STAFSTROM, S; SALANECK, WR; FRIEND, RH; BURN, PL; HOLMES, AB; KAERIYAMA, K; SONODA, Y; LHOST, O; MEYERS, F; BREDAS, JL, Macromolecules, 28, 1959-1965
  26. Theoretical-Study Of P-Type And N-Type Doping Of The Leucoemeraldine Base Form Of Polyaniline - Evolution Of The Geometric And Electronic-Structure, LIBERT, J; BREDAS, JL; EPSTEIN, AJ, Physical Review B, 51, 5711-5724
  27. Self-Trapping Of Positive Polarons Upon Evolution From Leucoemeraldine To Pernigraniline - A Theoretical-Study, LIBERT, J; BREDAS, JL, Synthetic Metals, 69, 121-122
  28. Photogeneration Of Polarons In Sexithiophene Oligomers, POPLAWSKI, J; EHRENFREUND, E; CORNIL, J; BREDAS, JL; PUGH, R; IBRAHIM, M; FRANK, AJ, Synthetic Metals, 69, 401-402
  29. Geometric And Electronic-Structure Of Polydicyanomethylene-Cyclopenta-Dicyclopentadiene, A Conjugated Polymer Possessing A Very Small Intrinsic Bandgap, TOUSSAINT, JM; BREDAS, JL, Synthetic Metals, 69, 637-640
  30. Theoretical Investigation Of Nitrogen-Containing Polyisothianaphthene Derivatives, QUATTROCCHI, C; LAZZARONI, R; KIEBOOMS, R; VANDERZANDE, D; GELAN, J; BREDAS, JL, Synthetic Metals, 69, 691-692
  31. The Aluminum Polyethylene Terephthalate Interface - A Joint Theoretical And Experimental-Study, CALDERONE, A; LAZZARONI, R; BREDAS, JL; LE, QT; PIREAUX, JJ, Journal Of Chemical Physics, 102, 4299-4307
  32. Thin-Films Of Polymer Blends - Surface-Treatment And Theoretical Modeling, VIVILLE, P; THOELEN, O; BEAUVOIS, S; LAZZARONI, R; LAMBIN, G; BREDAS, JL; KOLEV, K; LAUDE, L, Applied Surface Science, 86, 411-416
  33. Theoretical Investigation Of The Lowest Singlet And Triplet-States In Poly(Para-Phenylene Vinylene)Oligomers, BELJONNE, D; SHUAI, Z; FRIEND, RH; BREDAS, JL, Journal Of Chemical Physics, 102, 2042-2049
  34. Chemical And Electronic Structure Of Conjugated Polymer/Metal Interfaces Relevant In LED Devices, Fahlman, M; Iucci, G; Salaneck, WR; Brédas, JL, SPIE - The International Society of Optical Engineering, 2527, 190-199
  35. Degenerate Four-Wave Mixing In Saturable Dye-Doped Polymers: Comparison Of Different Xanthene Dyes In Poly(Vinyl Alcohol) Films, Leclère, P; Renotte, Y; Lion, Y; Brédas, JL, SPIE - The International Society of Optical Engineering, 2527, 304-314
  36. Nonlinear Optical Properties Of Bacteriorhodopsin, Retinal And Related Molecules, Hendrickx, E; Clays, K; Vinckier, A; Persoons, A; Dehu, C; Brédas, JL, SPIE - The International Society of Optical Engineering, 2527, 180-189
  37. Electric-Field Modulated Nonlinear Optical Properties Of Conjugated Organic Chromophores: Influence Of The Nature Of The Conjugated Bridge, Meyers, F; Marder, SR; Perry, JW; Bourhill, G; Gilmour, S; Cheng, LT; Pierce, BM; Brédas, JL, Nonlinear Optics, 9, 59-66
  38. Theoretical Investigation Of The Third-Order Nonlinear Optical Properties Of Oligothiophenes And Derivatives: Conjugation Length And Frequency-Dispersion Analysis, Beljonne, D; Dehu, C; Brédas, JL, Nonlinear Optics, 9, 37-47
  39. Poling Behavior Of Two-Dimensional Charge Transfer Molecules, Isoshima, T; Zhang, YD; Brouyère, E; Brédas, JL; Wada, T; Sasabe, H, Nonlinear Optics, 14, 175-183
  40. Nonlinear Optical Properties Of Donor-Acceptor Polyenes: Frequency-Dependent Calculations Of The Relationship Among Molecular Polarizabilities, Alpha, Beta, And Gamma, And Bond-Length Alternation, Meyers, F; Brédas, JL; Pierce, BM; Marder, SR, Nonlinear Optics, 14, 61-71
  1. Photoinduced Absorption Study Of Sexithiophene - Evidence For Photogeneration Of Polarons, POPLAWSKI, J; EHRENFREUND, E; CORNIL, J; BREDAS, JL; PUGH, R; IBRAHIM, M; FRANK, AJ, Molecular Crystals And Liquid Crystals Science And Technology Section A-Molecular Crystals And Liquid Crystals, 256, 407-413
  2. Photoexcitations In Poly(Para-Phenylene Vinylene), SHUAI, Z; BREDAS, JL; SU, WP, Molecular Crystals And Liquid Crystals Science And Technology Section A-Molecular Crystals And Liquid Crystals, 256, 525-530
  3. Theoretical Investigation Of The Magnetic Dipole And Electric Quadrupole Contributions To The Second-Harmonic Generation In C-60 And C-70, SHUAI, Z; BREDAS, JL, Molecular Crystals And Liquid Crystals Science And Technology Section A-Molecular Crystals And Liquid Crystals, 256, 801-806
  4. Electronic And Chemical-Structure Of Conjugated Polymers And Their Interfaces - Experiment, Theory And A Glance Toward The Future, SALANECK, WR; BREDAS, JL, Synthetic Metals, 67, 11-14
  5. Electronic Band-Structure Of Conjugated Polymers, SALANECK, WR; BREDAS, JL, Synthetic Metals, 67, 15-22
  6. The Evolution Of Charge-Induced Gap States In Degenerate And Nondegenerate Conjugated Molecules And Polymers As Studied By Photoelectron-Spectroscopy, DANNETUN, P; LOGDLUND, M; FAHLMAN, M; FAUQUET, C; BELJONNE, D; BREDAS, JL; BASSLER, H; SALANECK, WR, Synthetic Metals, 67, 81-86
  7. Optical-Absorption Studies Of Sodium Doped Poly(Cyanoterephthalylidene), BROMS, P; FAHLMAN, M; XING, KZ; SALANECK, WR; DANNETUN, P; CORNIL, J; DOSSANTOS, DA; BREDAS, JL; MORATTI, SC; HOLMES, AB; FRIEND, RH, Synthetic Metals, 67, 93-96
  8. A Joint Theoretical And Experimental-Study Of The Aluminum/Polyethylene Terephthalate Interface, CALDERONE, A; LAZZARONI, R; BREDAS, JL; LE, QT; PIREAUX, JJ, Synthetic Metals, 67, 97-101
  9. Interface Formation Between Poly(2,5-Diheptyl-P-Phenylenevinylene) And Calcium - Implications For Light-Emitting-Diodes, DANNETUN, P; FAHLMAN, M; FAUQUET, C; KAERIJAMA, K; SONODA, Y; LAZZARONI, R; BREDAS, JL; SALANECK, WR, Synthetic Metals, 67, 133-136
  10. Theoretical-Study Of The Interaction Between Sodium And Oligomers Of Poly(P-Phenylenevinylene) And Poly(P-Phenylene), LOGDLUND, M; DANNETUN, P; FREDRIKSSON, C; SALANECK, WR; BREDAS, JL, Synthetic Metals, 67, 141-145
  11. A Density-Functional Theory Study Of The Aluminum/Polythiophene Interface, PARENTE, V; LAZZARONI, R; SELMANI, A; BREDAS, JL, Synthetic Metals, 67, 147-150
  12. Theoretical Modeling Of The Geometric And Electronic-Structure Of Polymer/Graphite Interfaces, CALDERONE, A; PARENTE, V; BREDAS, JL, Synthetic Metals, 67, 151-155
  13. Electronic-Structure Of 4-BCMU Polydiacetylene Studied By Angle-Dependent Photoelectron-Spectroscopy, SALANECK, WR; FAHLMAN, M; LAPERSONNEMEYER, C; FAVE, JL; SCHOTT, M; LOGDLUND, M; BREDAS, JL, Synthetic Metals, 67, 309-314
  14. Electronic-Structure Of Pi-Conjugated Arylene Ethynylene Polymers, DOSSANTOS, DA; BREDAS, JL, Synthetic Metals, 67, 315-318
  15. Semiempirical Studies Of The Interaction Between Metals And Pi-Conjugated Polymers - Sodium On Diphenylpolyenes And Aluminum On Poly(P-Phenylenevinylene) And Derivatives, LOGDLUND, M; BREDAS, JL, International Journal Of Quantum Chemistry, , 481-500
  16. Electric-Field Modulated Nonlinear-Optical Properties Of Donor-Acceptor Polyenes - Sum-Over-States Investigation Of The Relationship Between Molecular Polarizabilities (Alpha, Beta, And Gamma) And Bond-Length Alternation, MEYERS, F; MARDER, SR; PIERCE, BM; BREDAS, JL, Journal Of The American Chemical Society, 116, 10703-10714
  17. Theoretical Investigation Of The Nonlinear-Optical Properties Of Oligomers Of Polythienylenemethylidene, A Low-Band-Gap Material, ADANT, C; BELJONNE, D; BREDAS, JL, Journal Of Chemical Physics, 101, 8048-8054
  18. Third-Order Nonlinear-Optical Properties Of Oligomers Of Thienylene Ethynylenes And Thienylene Vinylenes, GEISLER, T; PETERSEN, JC; BJORNHOLM, T; FISCHER, E; LARSEN, J; DEHU, C; BREDAS, JL; TORMOS, GV; NUGARA, PN; CAVA, MP; METZGER, RM, Journal Of Physical Chemistry, 98, 10102-10111
  19. Nature Of Photoexcitations In Poly(Para-Phenylene Vinylene) And Its Oligomers, SHUAI, Z; BREDAS, JL; SU, WP, Chemical Physics Letters, 228, 301-306
  20. Tuning Of Large Second Hyperpolarizabilities In Organic Conjugated Compounds, MEYERS, F; MARDER, SR; PIERCE, BM; BREDAS, JL, Chemical Physics Letters, 228, 171-176
  21. A Two-Band Model For Donor/Conjugated-Bridge/Acceptor Systems, SUZUKI, YY; BREDAS, JL, Physica Scripta, 49, 509-512
  22. Conjugated Polymers, SALANECK, WR; BREDAS, JL, Solid State Communications, 92, 31-36
  23. Theoretical Evolution Of The Third-Order Molecular Polarizabilities As A Function Of Chain-Length In Thiophene And Pyrrole Oligomers, BELJONNE, D; SHUAI, Z; BREDAS, JL, International Journal Of Quantum Chemistry, 52, 39-48
  24. Theoretical-Study Of The Conjugation Length Effect On The Electronic And Second-Order Nonlinear-Optical Properties Of Amino Nitro Diphenylacetylenes, DEHU, C; BREDAS, JL, International Journal Of Quantum Chemistry, 52, 89-96
  25. Theoretical-Studies Of The Interaction Between Aluminum And Poly(P-Phenylenevinylene) And Derivatives, LOGDLUND, M; BREDAS, JL, Journal Of Chemical Physics, 101, 4357-4364
  26. Theoretical Investigation Of Two-Photon Absorption And Third-Harmonic Generation In A Long Thiophene Oligomer - Alpha-Heptathiophene, BELJONNE, D; BREDAS, JL, Journal Of The Optical Society Of America B-Optical Physics, 11, 1380-1387
  27. Theoretical-Study Of Pyrrole Oligomers - Electronic Excitations, Relaxation Energies, And Nonlinear-Optical Properties, BELJONNE, D; BREDAS, JL, Physical Review B, 50, 2841-2849
  28. A Unified Description Of Linear And Nonlinear Polarization In Organic Polymethine Dyes, MARDER, SR; GORMAN, CB; MEYERS, F; PERRY, JW; BOURHILL, G; BREDAS, JL; PIERCE, BM, Science, 265, 632-635
  29. Theoretical-Studies Of The Aluminum/Emeraldine Interface, CALDERONE, A; LAZZARONI, R; BREDAS, JL, Physical Review B, 49, 14418-14426
  30. Magnetic Dipole And Electric Quadrupole Contributions To Second-Harmonic Generation In C-60 - A Valence Effective Hamiltonian Study, SHUAI, ZG; BREDAS, JL, Advanced Materials, 6, 486-488
  31. Metal/Conjugated Polymer Interfaces - A Local-Density Functional-Study Of Aluminum/Polyene Interactions, FREDRIKSSON, C; LAZZARONI, R; BREDAS, JL; OUHLAL, A; SELMANI, A, Journal Of Chemical Physics, 100, 9258-9264
  32. Selective Localization Of Carbon-Black In Immiscible Polymer Blends - A Useful Tool To Design Electrical Conductive Composites, GUBBELS, F; JEROME, R; TEYSSIE, P; VANLATHEM, E; DELTOUR, R; CALDERONE, A; PARENTE, V; BREDAS, JL, Macromolecules, 27, 1972-1974
  33. Optical Absorptions In Poly(Para-Phenylene Vinylene) And Poly(2,5-Dimethoxy-1,4-Paraphenylene Vinylene) Oligomers, CORNIL, J; BELJONNE, D; FRIEND, RH; BREDAS, JL, Chemical Physics Letters, 223, 82-88
  34. Theoretical-Analysis Of The Charge-Storage States In Diphenylpolyenes With One To Seven Double-Bonds, LOGDLUND, M; BREDAS, JL, Journal Of Chemical Physics, 100, 6543-6549
  35. Reactions Of Low Work Function Metals Na, Al, And Ca On Alpha,Omega-Diphenyltetradecaheptaene - Implications For Metal/Polymer Interfaces, DANNETUN, P; LOGDLUND, M; FREDRIKSSON, C; LAZZARONI, R; FAUQUET, C; STAFSTROM, S; SPANGLER, CW; BREDAS, JL; SALANECK, WR, Journal Of Chemical Physics, 100, 6765-6771
  36. Experimental Demonstration Of The Dependence Of The First Hyperpolarizability Of Donor-Acceptor-Substituted Polyenes On The Ground-State Polarization And Bond-Length Alternation, BOURHILL, G; BREDAS, JL; CHENG, LT; MARDER, SR; MEYERS, F; PERRY, JW; TIEMANN, BG, Journal Of The American Chemical Society, 116, 2619-2620
  37. Evolution Of Charge-Induced Gap States In Short Diphenylpolyenes As Studied By Photoelectron-Spectroscopy, DANNETUN, P; LOGDLUND, M; SPANGLER, CW; BREDAS, JL; SALANECK, WR, Journal Of Physical Chemistry, 98, 2853-2858
  38. Symmetry-Specific Electron-Phonon Coupling For Electronic States Near The Fermi Energy Of Metallic Polyaniline - Resonant Raman-Scattering, SARICIFTCI, NS; HEEGER, AJ; KRASEVEC, V; VENTURINI, P; MIHAILOVIC, D; CAO, Y; LIBERT, J; BREDAS, JL, Synthetic Metals, 62, 107-112
  39. Electronic-Structure Of Polyparaphenylene Vinylene Copolymers - The Relationship To Light-Emitting Characteristics, DOSSANTOS, DA; QUATTROCCHI, C; FRIEND, RH; BREDAS, JL, Journal Of Chemical Physics, 100, 3301-3306
  40. Influence Of Donor And Acceptor Substituents On The Electronic Characteristics Of Poly(Para-Phenylene Vinylene) And Poly(Para-Phenylene), BREDAS, JL; HEEGER, AJ, Chemical Physics Letters, 217, 507-512
  41. Third-Order Nonlinear-Optical Response In Organic Materials - Theoretical And Experimental Aspects, BREDAS, JL; ADANT, C; TACKX, P; PERSOONS, A; PIERCE, BM, Chemical Reviews, 94, 243-278
  42. Molecular-Geometry And Nonlinear Optics, BREDAS, JL, Science, 263, 487-488
  43. The Chemical And Electronic-Structure Of The Interface Between Aluminum And Conjugated Polymers, LAZZARONI, R; BREDAS, JL; DANNETUN, P; FREDRIKSSON, C; STAFSTROM, S; SALANECK, WR, Electrochimica Acta, 39, 235-244
  44. Peels Of Buckyballs: Synthesis Of A Fully Unsaturated, All-Carbon Ladder Polymer, Löffler, M; Schlüter, AD; Gessler, K; Saenger, W; Toussaint, JM; Brédas, JL, Angewandte Chemie, 33, 2209-2212
  45. Electronic Structure Of Polyparaphenylene Vinylene Copolymers And Derivatives: Aspects Related To Electroluminescence Characteristics, Dos Santos, DA; Quattrocchi, C; Brédas, JL, Brazilian Journal of Physics, 24, 755-763
  46. Theoretical Study Of The First-Order And Third-Order Polarizabilities In Benzene And Thiophene Derivatives: Influence Of Ethenyl Derivatization And Quinoid Geometries, Adant, C; Brédas, JL, Nonlinear Optics, 8, 87-96
  47. Theoretical Characterization Of The Second-Order Nonlinear Optical Properties Of Conjugated Organic Molecules: From Dipolar To Octupolar Compounds, Brédas, JL; Dehu, C; Meyers, F; Persoons, A; Zyss, J, Nonlinear Optics, 6, 263-287
  1. A Quantum-Chemical Approach To The STM Imaging Of Organic-Molecules On Graphite, LAMBIN, G; DELVAUX, MH; CALDERONE, A; LAZZARONI, R; BREDAS, JL; CLARKE, TC; RABE, JP, Molecular Crystals And Liquid Crystals Science And Technology Section A-Molecular Crystals And Liquid Crystals, 234, 357-364
  2. Novel Low Bandgap Polymers - Polydicyanomethylene-Cyclopenta-Dithiophene And Polydicyanomethylene-Cyclopenta-Dipyrrole, TOUSSAINT, JM; BREDAS, JL, Synthetic Metals, 61, 103-106
  3. Charge Storage States In Polyenes, STAFSTROM, S; BREDAS, JL; LOGDLUND, M; SALANECK, WR, Journal Of Chemical Physics, 99, 7938-7945
  4. Nonlinear-Optical Properties Of Proteins Measured By Hyper-Rayleigh Scattering In Solution, CLAYS, K; HENDRICKX, E; TRIEST, M; VERBIEST, T; PERSOONS, A; DEHU, C; BREDAS, JL, Science, 262, 1419-1422
  5. Investigations Of The Beta-Response In Organic Molecules: From Dipolar To Octopolar Systems, Verbiest, T; Clays, K; Persoons, A; Samyn, C; Meyers, F; Brédas, JL, SPIE - The International Society for Optical Engineering, 2025, 31-36
  6. Experimental And Theoretical-Studies Of The Electronic-Structure Of Na-Doped Poly(Para-Phenylenevinylene), FAHLMAN, M; BELJONNE, D; LOGDLUND, M; FRIEND, RH; HOLMES, AB; BREDAS, JL; SALANECK, WR, Chemical Physics Letters, 214, 327-332
  7. Theoretical-Analysis Of The Geometric And Electronic-Structure Of Small-Band-Gap Polythiophenes - Poly(5,5'-Bithiophene Methine) And Its Derivatives, TOUSSAINT, JM; BREDAS, JL, Macromolecules, 26, 5240-5248
  8. Donor-Acceptor Diphenylacetylenes - Geometric Structure, Electronic-Structure, And Second-Order Nonlinear-Optical Properties, DEHU, C; MEYERS, F; BREDAS, JL, Journal Of The American Chemical Society, 115, 6198-6206
  9. Theoretical-Study Of The Electronic-Structure Of Poly(2,5-Dimethoxyparaphenylenevinylene) And Its Oligomers, LHOST, O; BREDAS, JL; GRAHAM, SC; FRIEND, RH; BRADLEY, DDC, Synthetic Metals, 57, 4290-4295
  10. Electronic-Structure Of Conjugated Regular Copolymers - Fine-Tuning Of Band-Gap Value, MEYERS, F; HEEGER, AJ; BREDAS, JL, Synthetic Metals, 57, 4308-4313
  11. Theoretical Investigation Of The P-Doping Of Leucoemeraldine Base - Formation Of Positive Polarons, LIBERT, J; BREDAS, JL, Synthetic Metals, 57, 4314-4319
  12. A Quantum-Chemical Investigation Of The Interaction Of Organic-Molecules And Polymers With Graphite - Comparison With The STM Imaging Of Organic Adsorbates, LAMBIN, G; DELVAUX, MH; CALDERONE, A; LAZZARONI, R; BREDAS, JL; CLARKE, TC; RABE, JP, Synthetic Metals, 57, 4365-4370
  13. Electronic-Structure Of Polydithieno[3,4-B,3',4'-D]Thiophene - A Small Bandgap Conjugated Polymer, QUATTROCCHI, C; LAZZARONI, R; BREDAS, JL; ZAMBONI, R; TALIANI, C, Synthetic Metals, 57, 4399-4404
  14. Electronic-Structure Of Polysilanes - Influence Of Substitution And Conformation, ORTI, E; CRESPO, R; PIQUERAS, MC; TOMAS, F; BREDAS, JL, Synthetic Metals, 57, 4419-4424
  15. Lattice-Relaxation In Linear Polyenes, SHUAI, Z; BREDAS, JL, Synthetic Metals, 57, 4479-4484
  16. Electronic-Structure Of Platinum-Containing Polyynes, LHOST, O; TOUSSAINT, JM; BREDAS, JL; WITTMANN, HF; FUHRMANN, K; FRIEND, RH; KHAN, MS; LEWIS, J, Synthetic Metals, 57, 4525-4530
  17. Theoretical-Studies Of The Aluminum/Transpolyacetylene Interface - Calculations Of Model Systems And Comparison To Experiment, FREDRIKSSON, C; LAZZARONI, R; BREDAS, JL; DANNETUN, P; LOGDLUND, M; SALANECK, WR, Synthetic Metals, 57, 4590-4595
  18. A Theoretical Investigation Of The Aluminum Polyaniline Interface, CALDERONE, A; LAZZARONI, R; BREDAS, JL, Synthetic Metals, 57, 4620-4625
  19. Theoretical-Studies Of The Aluminum Poly(P-Phenylene Vinylene) Interface, FREDRIKSSON, C; LAZZARONI, R; BREDAS, JL; DANNETUN, P; LOGDLUND, M; SALANECK, WR, Synthetic Metals, 57, 4632-4637
  20. Solitons In Doped Beta-Carotene Films - Optical-Absorption And ESR Studies, EHRENFREUND, E; MOSES, D; LEE, K; HEEGER, AJ; CORNIL, J; BREDAS, JL, Synthetic Metals, 57, 4707-4713
  21. A Photoelectron-Spectroscopy Study Of The Charge-Induced Pi-Electronic Structural-Changes In Alpha,Omega-Diphenyltetradecaheptaene - A Model Molecule For Polyacetylene, LOGDLUND, M; DANNETUN, P; STAFSTROM, S; SALANECK, WR; FREDRIKSSON, C; BREDAS, JL; RAMSEY, MG; SPANGLER, CW, Synthetic Metals, 57, 4722-4727
  22. Evolution Of The Electronic-Structure In A Conjugated Polymer Series - Polyacetylene, Poly(P-Phenylene), And Poly(P-Phenylenevinylene), LOGDLUND, M; SALANECK, WR; MEYERS, F; BREDAS, JL; ARBUCKLE, GA; FRIEND, RH; HOLMES, AB; FROYER, G, Macromolecules, 26, 3815-3820
  23. Influence Of Molecular Architecture And Chain-Length On The Nonlinear-Optical Response Of Conjugated Oligomers And Polymers, BREDAS, JL; ADANT, C; BELJONNE, D; MEYERS, F; SHUAI, Z, Synthetic Metals, 57, 3933-3940
  24. Electronic-Structure And Nonlinear-Optical Properties Of Fullerenes, SHUAI, Z; BREDAS, JL, Synthetic Metals, 56, 2973-2978
  25. Optical-Spectra And Excitations In Phenylene Vinylene Oligomers, WOO, HS; LHOST, O; GRAHAM, SC; BRADLEY, DDC; FRIEND, RH; QUATTROCCHI, C; BREDAS, JL; SCHENK, R; MULLEN, K, Synthetic Metals, 59, 13-28
  26. The Chemical And Electronic-Structure Of The Interface Between Aluminum And Polythiophene Semiconductors, DANNETUN, P; BOMAN, M; STAFSTROM, S; SALANECK, WR; LAZZARONI, R; FREDRIKSSON, C; BREDAS, JL; ZAMBONI, R; TALIANI, C, Journal Of Chemical Physics, 99, 664-672
  27. 1,3-Bis(2-Thienylmethylene)-1H,3H-Thieno[3,4-C]Thiophene - A Precursor For A New Low-Band-Gap Polymer, HANACK, M; SCHMID, U; ROHRIG, U; TOUSSAINT, JM; ADANT, C; BREDAS, JL, Chemische Berichte-Recueil, 126, 1487-1491
  28. Electronic-Structure Of PTFE Substrates To Be Used For The Preparation Of Ordered Organic Overlayers, FAHLMAN, M; CLARK, DT; BEAMSON, G; FREDRIKSSON, C; SALANECK, WR; LOGDLUND, M; LAZZARONI, R; BREDAS, JL, Synthetic Metals, 55, 74-79
  29. The Chemical And Electronic-Structure Of The Interface Between Aluminum And Conjugated Polymers Or Molecules, DANNETUN, P; LOGDLUND, M; FAHLMAN, M; BOMAN, M; STAFSTROM, S; SALANECK, WR; LAZZARONI, R; FREDRIKSSON, C; BREDAS, JL; GRAHAM, S; FRIEND, RH; HOLMES, AB; ZAMBONI, R; TALIANI, C, Synthetic Metals, 55, 212-217
  30. Experimental And Theoretical-Studies Of The Electronic-Structure Of Substituted And Unsubstituted Poly(Para-Phenylenevinylene) (PPV), FAHLMAN, M; LHOST, O; MEYERS, F; BREDAS, JL; GRAHAM, SC; FRIEND, RH; BURN, PL; HOLMES, AB; KAERIYAMA, K; SONODA, Y; LOGDLUND, M; STAFSTROM, S; SALANECK, WR, Synthetic Metals, 55, 263-268
  31. Influence Of Electron-Electron Interaction On The Vibrational Frequency In One-Dimensional Dimerized Conjugated Systems, SHUAI, Z; BREDAS, JL; SUN, X, Physical Review B, 47, 13260-13265
  32. Theoretical Investigation Of The Conformational Behavior Of 2,2'-Bithiophene, QUATTROCCHI, C; LAZZARONI, R; BREDAS, JL, Chemical Physics Letters, 208, 120-124
  33. Theoretical-Study Of Thiophene Oligomers - Electronic Excitations, Relaxation Energies, And Nonlinear-Optical Properties, BELJONNE, D; SHUAI, Z; BREDAS, JL, Journal Of Chemical Physics, 98, 8819-8828
  34. Determination Of The Hyperpolarizability Of An Octopolar Molecular Ion By Hyper-Rayleigh Scattering, VERBIEST, T; CLAYS, K; PERSOONS, A; MEYERS, F; BREDAS, JL, Optics Letters, 18, 525-527
  35. Theoretical Investigation Of The Structure And Electronic-Properties Of Poly(Dithieno[3,4-B/3',4'-D]Thiophene), A Small-Band-Gap Conjugated Polymer, QUATTROCCHI, C; LAZZARONI, R; BREDAS, JL; ZAMBONI, R; TALIANI, C, Macromolecules, 26, 1260-1264
  36. Metal Conjugated Polymer Interfaces - A Theoretical Investigation Of The Interaction Between Aluminum And Transpolyacetylene Oligomers, FREDRIKSSON, C; BREDAS, JL, Journal Of Chemical Physics, 98, 4253-4262
  37. Soliton Pair Charge Storage In Doped Polyene Molecules - Evidence From Photoelectron-Spectroscopy Studies, LOGDLUND, M; DANNETUN, P; STAFSTROM, S; SALANECK, WR; RAMSEY, MG; SPANGLER, CW; FREDRIKSSON, C; BREDAS, JL, Physical Review Letters, 70, 970-973
  38. Theoretical Characterization Of Ring Torsional Solitons In Polyparaphenylene, QUATTROCCHI, C; DOSSANTOS, DA; BREDAS, JL, Solid State Communications, 85, 203-206
  1. Electronic-Structure And Nonlinear Optical-Properties Of Buckminsterfullerenes C-60 And C-70 - A Valence-Effective-Hamiltonian Study, SHUAI, ZG; BREDAS, JL, Physical Review B, 46, 16135-16141
  2. Theoretical Investigations Of The Aluminum/Polythiophene Interface, BOMAN, M; STAFSTROM, S; BREDAS, JL, Journal Of Chemical Physics, 97, 9144-9153
  3. Low-Bandgap Conjugated Polymers - A Joint Experimental And Theoretical-Study Of The Structure Of Polyisothianaphthene, HOOGMARTENS, I; ADRIAENSENS, P; VANDERZANDE, D; GELAN, J; QUATTROCCHI, C; LAZZARONI, R; BREDAS, JL, Macromolecules, 25, 7347-7356
  4. Relaxation Of The First Bu Excited-State In Linear Polyenes - From Trans-Butadiene To Polyacetylene, SHUAI, Z; BREDAS, JL, Journal Of Chemical Physics, 97, 5970-5976
  5. Nonlinear Optical Processes In Conjugated Polymers - Configuration-Interaction Description Of Linear Polyenes And VEH/SOS Evaluation Of Polyarylene Vinylenes, SHUAI, Z; BELJONNE, D; BREDAS, JL, Synthetic Metals, 51, 123-133
  6. Photoelectron-Spectra Of Phthalocyanine Thin-Films - A Valence Band Theoretical Interpretation, ORTI, E; BREDAS, JL, Journal Of The American Chemical Society, 114, 8669-8675
  7. Static And Dynamic Third-Order Susceptibilities In Conjugated Polymers - Hückel Theory And VEH Approach, SHUAI, ZG; BREDAS, JL, Synthetic Metals, 49, 37-48
  8. Geometric And Electronic-Structure And Nonlinear Optical-Properties Of Push-Push And Pull-Pull Conjugated Systems, MEYERS, F; BREDAS, JL, Synthetic Metals, 49, 181-186
  9. Nonlinear Optical Processes In Short Polyenes - Configuration-Interaction Description Of Two-Photon Absorption And Third-Harmonic Generation, SHUAI, ZG; BELJONNE, D; BREDAS, JL, Journal Of Chemical Physics, 97, 1132-1137
  10. Static And Dynamic Optical Nonlinearities In Conjugated Polymers - Third-Harmonic Generation And The Dc-Kerr Effect In Polyacetylene, Polyparaphenylene Vinylene, And Polythienylene Vinylene, SHUAI, ZG; BREDAS, JL, Physical Review B, 46, 4395-4404
  11. Fine Tuning Of The Band-Gap In Conjugated Polymers Via Control Of Block Copolymer Sequences, MEYERS, F; HEEGER, AJ; BREDAS, JL, Journal Of Chemical Physics, 97, 2750-2758
  12. Doped Beta-Carotene Films - Spinless Charge Storage Stabilized By Structural Relaxation, EHRENFREUND, E; MOSES, D; HEEGER, AJ; CORNIL, J; BREDAS, JL, Chemical Physics Letters, 196, 84-90
  13. Nonlinear Excitations In Conjugated Polymers - Characterization Of Ring Torsional Solitons In Leucoemeraldine, DOSSANTOS, DA; BREDAS, JL, Physical Review B, 45, 13113-13116
  14. On The Second-Order Polarizability Of Conjugated Pi-Electron Molecules With Octupolar Symmetry - The Case Of Triaminotrinitrobenzene, BREDAS, JL; MEYERS, F; PIERCE, BM; ZYSS, J, Journal Of The American Chemical Society, 114, 4928-4929
  15. Electronic-Structure And Nonlinear Optical-Properties Of Push-Pull Conjugated Molecules, MEYERS, F; BREDAS, JL, International Journal Of Quantum Chemistry, 42, 1595-1614
  16. Geometric Structure And Electronic-Properties Of Poly[2,3-8,9]Benzanthracene, A New Fully Fused-Ring Conjugated Polymer, TOUSSAINT, JM; BREDAS, JL, Synthetic Metals, 46, 325-335
  17. Electronic-Structure And Nonlinear Optical-Properties Of Push-Pull Polyenes - Theoretical Investigation Of Benzodithia Polyenals And Dithiolene Polyenals, MEYERS, F; BREDAS, JL; ZYSS, J, Journal Of The American Chemical Society, 114, 2914-2921
  18. Theoretical-Study Of Torsion Potentials In Trans-Stilbene And Substituted Trans-Stilbenes - Modeling Torsions In Poly(Para-Phenylene Vinylene) And Derivatives, LHOST, O; BREDAS, JL, Journal Of Chemical Physics, 96, 5279-5288
  19. The Electronic-Structure Of Poly(P-Phenylene Vinylene), SATO, N; LOGDLUND, M; LAZZARONI, R; SALANECK, WR; BREDAS, JL; BRADLEY, DDC; FRIEND, RH; ZIEMELIS, KE, Chemical Physics, 160, 299-306
  20. Characterization Of [C6H7N]+. Radical Cations By Tandem Mass-Spectrometry, FLAMMANG, R; THOELEN, O; QUATTROCCHI, C; BREDAS, JL, Rapid Communications In Mass Spectrometry, 6, 135-139
  1. Theoretical Insight Into The Quadratic Nonlinear Optical Response Of Organics: Derivatives Of Pyrene And Triaminotrinitrobenzene, Brédas, JL; Dehu, C; Meyers, F; Zyss, J, SPIE - The International Society for Optical Engineering, 1560, 98-110
  2. On The Nature Of The Ground State In Push-Pull Conjugated Molecules With Large Quadratic Optical Nonlinearities: From Paranitroaniline To P-Nitro-P'-Aminodiphenyl-Hexatriyne, Meyers, F; Brédas, JL, Nonlinear Optics, 1, 119-123
  3. Photoemission-Study Of The Copper/Poly(Ethylene-Terephthalate) Interface, CHTAIB, M; GHIJSEN, J; PIREAUX, JJ; CAUDANO, R; JOHNSON, RL; ORTI, E; BREDAS, JL, Physical Review B, 44, 10815-10825
  4. Influence Of Polymerization Irregularities On The Electronic-Properties Of Polythiophene, DOSSANTOS, DA; BREDAS, JL, Journal Of Chemical Physics, 95, 6567-6575
  5. Influence Of Ring-Torsion Dimerization On The Band-Gap Of Aromatic Conjugated Polymers, BREDAS, JL; QUATTROCCHI, C; LIBERT, J; MACDIARMID, AG; GINDER, JM; EPSTEIN, AJ, Physical Review B, 44, 6002-6010
  6. Static And Dynamic Third-Harmonic Generation In Long Polyacetylene And Polyparaphenylene Vinylene Chains, SHUAI, Z; BREDAS, JL, Physical Review B, 44, 5962-5965
  7. Theoretical Investigation Of The Effect Of Doping On The Electronic-Properties Of Polyparaphenylene Vinylene, BREDAS, JL; BELJONNE, D; SHUAI, Z; TOUSSAINT, JM, Synthetic Metals, 43, 3743-3746
  8. Electronic-Structure And Second-Order Polarizability Of Benzodithiapolyenals, MEYERS, F; ZYSS, J; BREDAS, JL, Synthetic Metals, 43, 3191-3194
  9. Electronic-Structure Of The Aluminum/Polythiophene Interface - A Joint Experimental And Theoretical-Study, LAZZARONI, R; BREDAS, JL; DANNETUN, P; LOGDLUND, M; UVDAL, K; SALANECK, WR, Synthetic Metals, 43, 3323-3328
  10. Electronic-Structure Of Polysilane Oligomers, CRESPO, R; PIQUERAS, MC; ORTI, E; BREDAS, JL, Synthetic Metals, 43, 3457-3462
  11. Electronic-Properties Of The Base And Protonated Forms Of Polypyrrylenemethine, A Small Bandgap Conjugated Polymer, TOUSSAINT, JM; BREDAS, JL, Synthetic Metals, 43, 3555-3558
  12. Ab Initio Study Of The Structural, Electronic, And Nonlinear Optical-Properties Of Pyrrole Derivatives, MEYERS, F; ADANT, C; TOUSSAINT, JM; BREDAS, JL, Synthetic Metals, 43, 3559-3562
  13. The Evolution Of The Electronic-Structure Of Polyacetylene, Poly(P-Phenylene), And The Copolymer Poly(P-Phenylene Vinylene) As Studied By Photoelectron-Spectroscopy, LOGDLUND, M; SALANECK, WR; STAFSTROM, S; BRADLEY, DDC; FRIEND, RH; ZIEMELIS, KE; FROYER, G; SWANSON, DB; MACDIARMID, AG; ARBUCKLE, GA; LAZZARONI, R; MEYERS, F; BREDAS, JL, Synthetic Metals, 41, 1315-1318
  14. Band-Structure Calculations On One-Dimensional Stacks Of Extended Phthalocyanine-Based Macrocycles, ORTI, E; CRESPO, R; PIQUERAS, MC; BREDAS, JL, Synthetic Metals, 42, 2647-2652
  15. A Theoretical Approach To The STM Imaging Of Adsorbates On The Graphite Surface, LAZZARONI, R; CALDERONE, A; LAMBIN, G; RABE, JP; BREDAS, JL, Synthetic Metals, 41, 525-528
  16. Electronic-Structure Of Conducting Polymers With Nonconjugated Backbones - 1,4-Polybutadiene And 1,4-Polyisoprene, SHUAI, Z; BREDAS, JL, Macromolecules, 24, 3723-3724
  17. Towards Organic Polymers With Small Intrinsic Band-Gaps. III. Geometric And Electronic-Structures Of The Base And Salt Forms Of Polypyrrylenemethine, TOUSSAINT, JM; BREDAS, JL, Journal Of Chemical Physics, 94, 8122-8128
  18. SSH-Hamiltonian Description Of The Electronic-Structure And Vibrational Properties Of Polyparaphenylene Vinylene, SHUAI, Z; BELJONNE, D; BREDAS, JL, Solid State Communications, 78, 477-480
  19. Theoretical Investigation Of The Electronic And Geometric Structures And Nonlinear Optical-Properties Of 2H-Pyrrole Derivatives, MEYERS, F; ADANT, C; BREDAS, JL, Journal Of The American Chemical Society, 113, 3715-3719
  1. Model Systems For Polyimide-On-Copper Interface, STAFSTROM, S; BODO, P; SALANECK, WR; BREDAS, JL, ACS Symposium Series, 440, 312-332
  2. Electronic-Structure Of Poly(Ether Ether Ketone), PEEK, LAZZARONI, R; SATO, N; SALANECK, WR; DOSSANTOS, MC; BREDAS, JL; TOOZE, B; CLARK, DT, Chemical Physics Letters, 175, 175-181
  3. The Coupling Between Electronic-Structure, Geometric Structure, And Nonlinear Optical-Properties In Conjugated Materials - The Case Of Linear Polyenes, BREDAS, JL; TOUSSAINT, JM; HEEGER, AJ, Molecular Crystals And Liquid Crystals, 189, 81-91
  4. The Poly-3-Hexylthiophene/NOPF6 System - A Photoelectron-Spectroscopy Study Of Electronic Structural-Changes Induced By The Charge-Transfer In The Solid-State, LAZZARONI, R; LOGDLUND, M; STAFSTROM, S; SALANECK, WR; BREDAS, JL, Journal Of Chemical Physics, 93, 4433-4439
  5. Role Of Disorder In The Conduction Mechanism Of Polyanilines - Comment, BREDAS, JL; EPSTEIN, AJ; MACDIARMID, AG, Physical Review Letters, 65, 526-526
  6. Polyacetylenes - From Conduction Properties To Nonlinear Optics, BREDAS, JL; TOUSSAINT, JM; MEYERS, F, Molecular Crystals And Liquid Crystals, 183, 1-19
  7. Conjugated Heterocyclic Copolymers - Correlation Between Electronic-Structures And Conducting Properties, MONTHEARD, JP; BOITEUX, G; THEMANS, B; BREDAS, JL; PASCAL, T; FROYER, G, Synthetic Metals, 36, 195-207
  8. Valence Electronic-Structure Of Polystyrenes With Different Tacticities - How To Go (Or Not To Go) Too Far? - A Joint Theoretical And Experimental Approach, ORTI, E; BREDAS, JL; PIREAUX, JJ; ISHIHARA, N, Journal Of Electron Spectroscopy And Related Phenomena, 52, 551-570
  9. Influence Of Annelation On The Electronic-Properties Of Phthalocyanine Macrocycles, ORTI, E; PIQUERAS, MC; CRESPO, R; BREDAS, JL, Chemistry Of Materials, 2, 110-116
  10. Ring-Rotational Dimerization In Pernigraniline - Reply, DOSSANTOS, MC; BREDAS, JL, Physical Review Letters, 64, 1185-1185
  11. Theoretical Investigation Of Gas-Phase Torsion Potentials Along Conjugated Polymer Backbones - Polyacetylene, Polydiacetylene, And Polythiophene, BREDAS, JL; HEEGER, AJ, Macromolecules, 23, 1150-1156
  12. Theoretical Investigation Of The Relaxed Geometry In The First Singlet Bu Excited-State Of Polyacetylene Oligomers, BREDAS, JL; TOUSSAINT, JM, Journal Of Chemical Physics, 92, 2624-2629
  13. Electronic-Structure Of Polyimide And Related Monomers - Theory And Experiment, KOWALCZYK, SP; STAFSTROM, S; BREDAS, JL; SALANECK, WR; JORDANSWEET, JL, Physical Review B, 41, 1645-1656
  14. Electronic-Structure Of Phthalocyanines - Theoretical Investigation Of The Optical-Properties Of Phthalocyanine Monomers, Dimers, And Crystals, ORTI, E; BREDAS, JL; CLARISSE, C, Journal Of Chemical Physics, 92, 1228-1235
  1. Influence Of Molecular Architecture On Electronic And Transport-Properties In Sulfur-Containing Heterocyclic Conducting Polymers, TALIANI, C; ZAMBONI, R; DANIELI, R; OSTOJA, P; PORZIO, W; LAZZARONI, R; BREDAS, JL, Physica Scripta, 40, 781-785
  2. Protonation Process Of Pernigraniline - A Theoretical Investigation, DOSSANTOS, MC; BREDAS, JL, Physical Review B, 40, 11997-12000
  3. The Valence Electronic-Structure Of Isotactic Polystyrene Revisited, ORTI, E; STAFSTROM, S; BREDAS, JL, Chemical Physics Letters, 164, 240-246
  4. Electronic-Structure Of Metal-Free Porphine - A Valence Effective Hamiltonian Theoretical Investigation, ORTI, E; BREDAS, JL, Chemical Physics Letters, 164, 247-252
  5. Theoretical Investigation Of Three-Dimensional Phthalocyanine Structures - Comparison Of The Electronic-Properties Of A Model System For Cyano(Phthalocyaninato)Cobalt(III) With Metal-Free Beta-Phthalocyanine, ORTI, E; BREDAS, JL, Synthetic Metals, 33, 27-35
  6. Electron Correlation And Bond Alternation In Polymers - Comment, BREDAS, JL; HEEGER, AJ, Physical Review Letters, 63, 2534-2534
  7. Direct Observation Of Charge-Induced Pi-Electronic Structural-Changes In A Conjugated Polymer, LOGDLUND, M; LAZZARONI, R; STAFSTROM, S; SALANECK, WR; BREDAS, JL, Physical Review Letters, 63, 1841-1844
  8. Electronic-Structure Of Highly Conducting Conjugated Polymers - Evolution Upon Doping Of Polyacetylene, Polythiophene, And Polyemeraldine, STAFSTROM, S; BREDAS, JL, Theochem-Journal Of Molecular Structure, 57, 393-427
  9. Density Of Electronic States In Periodic And Disordered Chains Of Segmented Polyacetylene, HENNICO, G; DELHALLE, J; ANDRE, JM; BREDAS, JL, Synthetic Metals, 31, 9-22
  10. Towards Organic Polymers With Small Intrinsic Band-Gaps. II. Investigation Of The Electronic-Structure Of Poly(Pyrenylene Vinylenes), TOUSSAINT, JM; WUDL, F; BREDAS, JL, Journal Of Chemical Physics, 91, 1783-1788
  11. Theoretical-Studies Of The Complexes Of Benzene And Pyrene With Water And Of Benzene With Formic-Acid, Ammonia, And Methane, BREDAS, JL; STREET, GB, Journal Of Chemical Physics, 90, 7291-7299
  12. Nonlinear Excitations In Pernigraniline, The Oxidized Form Of Polyaniline, DOSSANTOS, MC; BREDAS, JL, Physical Review Letters, 62, 2499-2502
  13. Theoretical Approach To The Electronic-Structure Of Phthalocyanine - From The Molecule To The Crystal, ORTI, E; BREDAS, JL, Synthetic Metals, 29, F115-F122
  14. An INDO/S-Ci Study Of The Photoinduced Absorption-Spectrum Of Polyemeraldine, STAFSTROM, S; SJOGREN, B; BREDAS, JL, Synthetic Metals, 29, E219-E226
  15. Elementary Excitations In Poly Para-Phenylene Imine, The Oxidized Form Of Polyaniline, DOSSANTOS, MC; BREDAS, JL, Synthetic Metals, 29, E321-E327
  16. Electronic-Structure Of Segmented Polyacetylene - Influence Of A Random Distribution Of Sp3 Defects And Soliton Wavefunction Characteristics, HENNICO, G; DELHALLE, J; ANDRE, JM; TOUSSAINT, JM; BREDAS, JL, Synthetic Metals, 28, D259-D265
  17. Electronic Excitation Properties Of Trans-Polyacetylene And Polythiophene As A Function Of Doping Level, STAFSTROM, S; BREDAS, JL, Synthetic Metals, 28, D477-D482
  18. Electronic-Structure And Nonlinear Optical-Properties Of Aromatic Polymers And Their Derivatives, BREDAS, JL; DORY, M; THEMANS, B; DELHALLE, J; ANDRE, JM, Synthetic Metals, 28, D533-D542
  19. Theoretical Design Of Small Bandgap Polypyrrole Derivatives, TOUSSAINT, JM; THEMANS, B; ANDRE, JM; BREDAS, JL, Synthetic Metals, 28, C205-C210
  20. Theoretical-Study Of The Influence Of Thermochromic Effects On The Electronic-Structure Of Poly(3-Hexylthiophene), THEMANS, B; SALANECK, WR; BREDAS, JL, Synthetic Metals, 28, C359-C364
  21. Thermochromism In The Poly(3-Alkylthiophene)s - A Study Of Conformational Defects By Photoelectron-Spectroscopy, SALANECK, WR; INGANAS, O; NILSSON, JO; OSTERHOLM, JE; THEMANS, B; BREDAS, JL, Synthetic Metals, 28, C451-C460
  22. Molecular-Structure And Transport-Properties In Thiophene-Based Polyheterocycles, LAZZARONI, R; TALIANI, C; ZAMBONI, R; DANIELI, R; OSTOJA, P; PORZIO, W; BREDAS, JL, Synthetic Metals, 28, C515-C520
  23. The Role Of Solitons In The First Bu Excited-State Of Polyene Chains - From Short Polyenes To Polyacetylene, BREDAS, JL; HEEGER, AJ, Chemical Physics Letters, 154, 56-61
  1. Electronic And Nonlinear Optical Properties Of Polyarylene Vinylenes And Related Conjugated Systems, Brédas, JL; Dory, M; Thémans, B; Delhalle, J; André, JM, SPIE - The International Society for Optical Engineering, 971, 42-50
  2. Thermochromism In Poly(3-Hexylthiophene) In The Solid-State - A Spectroscopic Study Of Temperature-Dependent Conformational Defects, SALANECK, WR; INGANAS, O; THEMANS, B; NILSSON, JO; SJOGREN, B; OSTERHOLM, JE; BREDAS, JL; SVENSSON, S, Journal Of Chemical Physics, 89, 4613-4619
  3. Thiazole-Based Polymers - Synthesis, Characterization And Electronic-Structure, CATELLANI, M; DESTRI, S; PORZIO, W; THEMANS, B; BREDAS, JL, Synthetic Metals, 26, 259-265
  4. Phthalimide On Copper - A Model System To Address Certain Site-Specific Interactions At The Polyimide-Copper Interface, SALANECK, WR; STAFSTROM, S; BREDAS, JL; ANDERSSON, S; BODO, P; KOWALCZYK, SP; RITSKO, JJ, Journal Of Vacuum Science & Technology A-Vacuum Surfaces And Films, 6, 3134-3139
  5. Theoretical-Studies Of The Structure Of The Benzene Hydrogen-Fluoride Complex, BREDAS, JL; STREET, GB, Journal Of The American Chemical Society, 110, 7001-7005
  6. Evolution Of The Electronic-Structure Of Polyacetylene And Polythiophene As A Function Of Doping Level And Lattice Conformation, STAFSTROM, S; BREDAS, JL, Physical Review B, 38, 4180-4191
  7. Band-Structure Calculations For The Polaron Lattice In The Highly Doped Regime Of Polyacetylene, Polythiophene, And Polyaniline, STAFSTROM, S; BREDAS, JL, Molecular Crystals And Liquid Crystals, 160, 405-420
  8. Electronic-Structure Of Metal-Free Phthalocyanine - A Valence Effective Hamiltonian Theoretical-Study, ORTI, E; BREDAS, JL, Journal Of Chemical Physics, 89, 1009-1016
  9. Head-Head Interactions In Zwitterionic Associating Polymers, BREDAS, JL; CHANCE, RR; SILBEY, R, Macromolecules, 21, 1633-1639
  10. Electronic-Structure Of Polyisothianaphthene, LAZZARONI, R; RIGA, J; VERBIST, J; BREDAS, JL; WUDL, F, Journal Of Chemical Physics, 88, 4257-4262
  1. Electronic-Structure Of Polythiophene, WU, CR; NILSSON, JO; INGANAS, O; SALANECK, WR; OSTERHOLM, JE; BREDAS, JL, Synthetic Metals, 21, 197-202
  2. Electronic-Structure Of Sulfur-Containing Conducting Polymers, RIGA, J; SNAUWAERT, P; DEPRYCK, A; LAZZARONI, R; BOUTIQUE, JP; VERBIST, JJ; BREDAS, JL; ANDRE, JM; TALIANI, C, Synthetic Metals, 21, 223-228
  3. UHV-Compatible Processing Of Conducting Polymers - Polythiophene, SALANECK, WR; WU, CR; NILSSON, JO; BREDAS, JL, Synthetic Metals, 21, 57-61
  4. Band-Structure Of Yba2Cu3Ox In Relation With The Oxygen Vacancy Distribution, ORTI, E; LAMBIN, P; BREDAS, JL; VIGNERON, JP; DEROUANE, EG; LUCAS, AA; ANDRE, JM, Solid State Communications, 64, 313-316
  5. Molecular Engineering Of Organic Polymers With A Very Small Intrinsic Bandgap - A Theoretical Approach, BREDAS, JL, Journal De Chimie Physique Et De Physico-Chimie Biologique, 84, 627-632
  6. Polaron Lattice In Highly Conducting Polyaniline - Theoretical And Optical Studies, STAFSTROM, S; BREDAS, JL; EPSTEIN, AJ; WOO, HS; TANNER, DB; HUANG, WS; MACDIARMID, AG, Physical Review Letters, 59, 1464-1467
  7. Polarons And Bipolarons In Doped Polythiophene - A Theoretical Investigation, BREDAS, JL; WUDL, F; HEEGER, AJ, Solid State Communications, 63, 577-580
  8. Ultra-Violet And X-Ray Photoelectron-Spectroscopy Of Crystal Violet, NILSSON, JO; STAFSTROM, S; WU, CR; ANDERSSON, S; SALANECK, WR; BREDAS, JL, Physica Scripta, 35, 551-556
  9. Theoretical Design Of Polymeric Conductors, BREDAS, JL, Synthetic Metals, 17, 115-121
  10. Electronic-Structure Of Polyimide, BREDAS, JL; CLARKE, TC, Journal Of Chemical Physics, 86, 253-257
  11. Relationship Between Oxygen Stoichiometry And Crystal-Structure In Yba2Cu3O6.5+X Precursors To High-Tc Superconducting Materials, DEROUANE, EG; GABELICA, Z; BREDAS, JL; ANDRE, JM; LAMBIN, P; LUCAS, AA; VIGNERON, JP, Solid State Communications, 64, 1061-1068
  12. Electronic-Structure Of The Alkyl, Benzyl And Methoxy Derivatives Of Polythiophene, THEMANS, B; ANDRE, JM; BREDAS, JL, Synthetic Metals, 21, 149-156
  13. Electronic-Structure Of Conducting Polymers From Heteroaromatic Bicyclic Compounds, LAZZARONI, R; DEPRYCK, A; DEBAISIEUX, C; RIGA, J; VERBIST, J; BREDAS, JL; DELHALLE, J; ANDRE, JM, Synthetic Metals, 21, 189-195
  1. X-Ray Photoelectron-Spectroscopy Of Polyacrylonitrile, WU, CR; SALANECK, WR; RITSKO, JJ; BREDAS, JL, Synthetic Metals, 16, 147-159
  2. Theoretical-Studies On Polyaniline, BOUDREAUX, DS; CHANCE, RR; WOLF, JF; SHACKLETTE, LW; BREDAS, JL; THEMANS, B; ANDRE, JM; SILBEY, R, Journal Of Chemical Physics, 85, 4584-4590
  3. Towards Organic Polymers With Very Small Intrinsic Band-Gaps. I. Electronic-Structure Of Polyisothianaphthene And Derivatives, BREDAS, JL; HEEGER, AJ; WUDL, F, Journal Of Chemical Physics, 85, 4673-4678
  4. Polyaniline - A Theoretical-Study, CHANCE, RR; BOUDREAUX, DS; WOLF, JF; SHACKLETTE, LW; SILBEY, R; THEMANS, B; ANDRE, JM; BREDAS, JL, Synthetic Metals, 15, 105-114
  5. Electronic-Structure Evolution Upon Thermal-Treatment Of Polyacrylonitrile - A Theoretical Investigation, BREDAS, JL; SALANECK, WR, Journal Of Chemical Physics, 85, 2219-2226
  6. Theoretical-Study Of The Electronic And Electrochemical Properties Of Polyaniline, BREDAS, JL; THEMANS, B; ANDRE, JM; SILBEY, R; BOUDREAUK, DS; CHANCE, RR, Bulletin Des Societes Chimiques Belges, 95, 511-521
  7. Evolution Of Structure And Electronic-Properties In Oxidized Polyaniline As A Function Of The Torsion Angle Between Adjacent Rings, STAFSTROM, S; BREDAS, JL, Synthetic Metals, 14, 297-308
  8. Electronic-Structure Of Polyacrylonitrile, SALANECK, WR; WU, CR; BREDAS, JL; RITSKO, JJ, Chemical Physics Letters, 127, 88-92
  1. Geometric And Electronic-Structures Of Isothianaphthene And Thieno[3,4-C]Thiophene - A Theoretical Investigation, BREDAS, JL; THEMANS, B; ANDRE, JM; HEEGER, AJ; WUDL, F, Synthetic Metals, 11, 343-352
  2. Polarons, Bipolarons, And Solitons In Conducting Polymers, BREDAS, JL; STREET, GB, Accounts Of Chemical Research, 18, 309-315
  3. Long Polyene And Polydiacetylene Oligomers - Pariser-Parr-Pople Investigation Of The Geometric And Electronic-Structures In The First 1Bu Excited-State, BREDAS, JL; DORY, M; ANDRE, JM, Journal Of Chemical Physics, 83, 5242-5249
  4. Electronic-Properties Of Amorphous-Carbon Films, BREDAS, JL; STREET, GB, Journal Of Physics C-Solid State Physics, 18, L651-L655
  5. Theoretical-Study Of The Electronic-Properties And Crystal-Structure Of Poly(Perinaphthalene) - On The Origin Of High Observed Conductivities, BREDAS, JL; BAUGHMAN, RH, Journal Of Chemical Physics, 83, 1316-1322
  6. Organic Polymers Based On Aromatic Rings (Polyparaphenylene, Polypyrrole, Polythiophene) - Evolution Of The Electronic-Properties As A Function Of The Torsion Angle Between Adjacent Rings, BREDAS, JL; STREET, GB; THEMANS, B; ANDRE, JM, Journal Of Chemical Physics, 83, 1323-1329
  7. Bipolarons In Doped Conjugated Polymers - A Critical Comparison Between Theoretical Results And Experimental-Data, BREDAS, JL, Molecular Crystals And Liquid Crystals, 118, 49-56
  8. The Synthesis, Properties And Structure Of Poly (Peri-Naphthalene) - A Conducting, Undoped Organic Polymer, IQBAL, Z; IVORY, DM; MARTI, J; BREDAS, JL; BAUGHMAN, RH, Molecular Crystals And Liquid Crystals, 118, 103-109
  9. Theoretical Prediction Of Potentially New Highly Conducting Polymer Complexes - VEH Study Of Nitrogen And Oxygen Containing Conjugated Polymers, THEMANS, B; ANDRE, JM; BREDAS, JL, Molecular Crystals And Liquid Crystals, 118, 121-124
  10. Evidence For Bipolarons In Pyrrole Polymers, SCOTT, JC; BREDAS, JL; KAUFMAN, JH; PFLUGER, P; STREET, GB; YAKUSHI, K, Molecular Crystals And Liquid Crystals, 118, 163-170
  11. Theoretical Investigation Of A New Class Of Soliton-Supporting Conjugated Polymers - Polyarenemethides, BREDAS, JL; BOUDREAUX, DS; CHANCE, RR; SILBEY, R, Molecular Crystals And Liquid Crystals, 118, 323-326
  12. Relationship Between Band-Gap And Bond Length Alternation In Organic Conjugated Polymers, BREDAS, JL, Journal Of Chemical Physics, 82, 3808-3811
  13. Electronic-Structure Of Polystyrene - A Valence Effective Hamiltonian Theoretical-Study, BREDAS, JL; STREET, GB, Journal Of Chemical Physics, 82, 3284-3288
  14. Valence Effective Hamiltonian Study Of The Electronic-Structure Of Polysulfur Nitride, (Sn)X, BREDAS, JL, Chemical Physics Letters, 115, 119-123
  15. New Class Of Soliton-Supporting Polymers - Theoretical Predictions, BOUDREAUX, DS; CHANCE, RR; ELSENBAUMER, RL; FROMMER, JE; BREDAS, JL; SILBEY, R, Physical Review B, 31, 652-655
  1. Electronic-Structure Of Hydrogen-Bonded Imidazole Chains - Influence Of The Proton Position, BREDAS, JL; POSKIN, MP; DELHALLE, J; ANDRE, JM; CHOJNACKI, H, Journal Of Physical Chemistry, 88, 5882-5887
  2. Optical Study Of Poly-Beta,Beta'-Dimethylpyrrole Perchlorate - Evidence For Bipolarons, YAKUSHI, K; LAUCHLAN, LJ; STREET, GB; BREDAS, JL, Journal Of Chemical Physics, 81, 4133-4137
  3. Polarons And Bipolarons In Polypyrrole - Evolution Of The Band-Structure And Optical-Spectrum Upon Doping, BREDAS, JL; SCOTT, JC; YAKUSHI, K; STREET, GB, Physical Review B, 30, 1023-1025
  4. Highly Conducting Polyparaphenylene, Polypyrrole, And Polythiophene Chains - An Ab Initio Study Of The Geometry And Electronic-Structure Modifications Upon Doping, BREDAS, JL; THEMANS, B; FRIPIAT, JG; ANDRE, JM; CHANCE, RR, Physical Review B, 29, 6761-6773
  5. Electronic-Properties Of Polypyrrole - An Ab Initio Hartree-Fock Study, ANDRE, JM; VERCAUTEREN, DP; STREET, GB; BREDAS, JL, Journal Of Chemical Physics, 80, 5643-5648
  6. Electronic-Properties Of Polyquinolines And Poly(2,6-Naphthylene), THEMANS, B; ANDRE, JM; BREDAS, JL, Solid State Communications, 50, 1047-1050
  7. The Evidence For Bipolarons In Pyrrole Polymers, SCOTT, JC; BREDAS, JL; YAKUSHI, K; PFLUGER, P; STREET, GB, Synthetic Metals, 9, 165-172
  8. The Role Of Mobile Organic Radicals And Ions (Solitons, Polarons And Bipolarons) In The Transport-Properties Of Doped Conjugated Polymers, BREDAS, JL; THEMANS, B; ANDRE, JM; CHANCE, RR; SILBEY, R, Synthetic Metals, 9, 265-274
  9. Bipolaron Transport In Doped Conjugated Polymers, CHANCE, RR; BREDAS, JL; SILBEY, R, Physical Review B, 29, 4491-4495
  10. Redox Properties Of Conjugated Polymers - A Successful Correlation Of Theory And Experiment, CHANCE, RR; BOUDREAUX, DS; BREDAS, JL; SILBEY, R, ACS Symposium Series, 242, 433-446
  11. Electronic-Properties Of Doped Organic Polymers - A Quantum-Chemical Study, BREDAS, JL, Theochem-Journal Of Molecular Structure, 16, 169-180
  1. Solitons And Polarons In Polyacetylene - Self-Consistent-Field Calculations Of The Effect Of Neutral And Charged Defects On Molecular-Geometry, BOUDREAUX, DS; CHANCE, RR; BREDAS, JL; SILBEY, R, Physical Review B, 28, 6927-6936
  2. Chain-Length Dependence Of Electronic And Electrochemical Properties Of Conjugated Systems - Polyacetylene, Polyphenylene, Polythiophene, And Polypyrrole, BREDAS, JL; SILBEY, R; BOUDREAUX, DS; CHANCE, RR, Journal Of The American Chemical Society, 105, 6555-6559
  3. Ab Initio SCF-LCAO-MO Study Of Conformational Stability And Internal-Rotation In Normal-Butane, Ethyl Methyl-Ether And Ethyl Methyl Sulfide, BREDAS, JL; DUFEY, M; FRIPIAT, JG; ANDRE, JM, Molecular Physics, 49, 1451-1460
  4. Bipolarons In Polypyrrole Chains, BREDAS, JL; THEMANS, B; ANDRE, JM, Physical Review B, 27, 7827-7830
  5. Theoretical-Study Of The Electronic-Properties Of Biphenylene Polymers - Prediction Of New Highly Conducting Polymer Complexes, BREDAS, JL; BAUGHMAN, RH, Journal Of Polymer Science Part C-Polymer Letters, 21, 475-479
  6. Redox Properties Of Conjugated Polymers - A Successful Correlation Of Theory And Experiment, CHANCE, RR; BOUDREAUX, DS; BREDAS, JL; SILBEY, R, Abstracts Of Papers Of The American Chemical Society, 185, 116-ORPL
  7. Valence Effective Hamiltonian Technique For Nitrogen Containing Polymers - Electronic-Structure Of Polypyrrole, Pyrolized Polyacrylonitrile, Paracyanogen, Polymethineimine, And Derivatives, BREDAS, JL; THEMANS, B; ANDRE, JM, Journal Of Chemical Physics, 78, 6137-6148
  8. Electronic-Properties Of Sulfur-Containing Conjugated Polymers, BREDAS, JL; ELSENBAUMER, RL; CHANCE, RR; SILBEY, R, Journal Of Chemical Physics, 78, 5656-5662
  9. Exchange, Correlation, And Band-Gaps In Conjugated Linear-Chains, ANDRE, JM; BREDAS, JL; THEMANS, B; PIELA, L, International Journal Of Quantum Chemistry, 23, 1065-1072
  10. Theoretical-Studies Of Localization Phenomena In Excited-States Of Polyene Chains, BREDAS, JL; THEMANS, B; ANDRE, JM; PIELA, L, Bulletin Des Societes Chimiques Belges, 92, 1-8
  11. Neutral And Charged Soliton Defects In Polyacetylene, CHANCE, RR; BOUDREAUX, DS; BREDAS, JL; SILBEY, R, Physical Review B, 27, 1440-1442
  12. Cancellation Of Low Order Electric Moments Of The Unit-Cell - An Efficient Way Of Calculating Crystal-Field Effects In Hartree-Fock Computations On Periodic-Systems, PIELA, L; BREDAS, JL; ANDRE, JM, Journal Of Chemical Physics, 78, 295-300
  13. Theoretical Studies Of The Physics Of Charged Defect Formation In Doped Organic Polymers: Towards A Coherent Theoretical Picture, Brédas, JL; Thémans, B; André, JM; Chance, RR; Boudreaux, DS; Silbey, R, Journal de Physique, 44-C3, 373-379
  1. Comparative Theoretical-Study Of The Doping Of Conjugated Polymers - Polarons In Polyacetylene And Polyparaphenylene, BREDAS, JL; CHANCE, RR; SILBEY, R, Physical Review B, 26, 5843-5854
  2. Electronic-Structure Of Highly Conducting Poly-(Para-Phenylene) Chains - An Ab Initio Hartree-Fock Study, BREDAS, JL; THEMANS, B; ANDRE, JM, Physical Review B, 26, 6000-6002
  3. Valence Effective Hamiltonian Study Of The Electronic-Structure Of Poly(Para-Phenylene) And Poly(Para-Phenylene Sulfide), BREDAS, JL; CHANCE, RR; SILBEY, R; NICOLAS, G; DURAND, P, Journal Of Chemical Physics, 77, 371-378
  4. Ab Initio SCF-FSGO Study Of The Structure Of An Isolated Polysulfur Nitride, (SN)X, Chain, BREDAS, JL, Journal Of Physics C-Solid State Physics, 15, 3473-3481
  5. Structural Basis For Semiconducting And Metallic Polymer/Dopant Systems, BAUGHMAN, RH; BREDAS, JL; CHANCE, RR; ELSENBAUMER, RL; SHACKLETTE, LW, Chemical Reviews, 82, 209-222
  6. Conducting Complexes Of Conjugated Polymers - A Comparative-Study, CHANCE, RR; BAUGHMAN, RH; BREDAS, JL; ECKHARDT, H; ELSENBAUMER, RL; FROMMER, JE; SHACKLETTE, LW; SILBEY, R, Molecular Crystals And Liquid Crystals, 83, 1249-1259
  7. Ab Initio Hartree-Fock Calculations Of Model Polyacetylene Chains Using A Christoffersen Basis Set, BREDAS, JL; ANDRE, JM; DELHALLE, J, Theochem-Journal Of Molecular Structure, 4, 237-245
  8. Ab Initio Effective Hamiltonian Study Of The Electronic-Properties Of Conjugated Polymers, BREDAS, JL; CHANCE, RR; BAUGHMAN, RH; SILBEY, R, Journal Of Chemical Physics, 76, 3673-3678
  1. Non-Empirical Studies Of The Electronic-Properties Of Highly Conducting Polymers, BREDAS, JL; CHANCE, RR; BAUGHMAN, RH; SILBEY, R, International Journal Of Quantum Chemistry, , 231-241
  2. Theoretical-Studies Of Charged Defect States In Doped Polyacetylene And Polyparaphenylene, BREDAS, JL; CHANCE, RR; SILBEY, R, Molecular Crystals And Liquid Crystals, 77, 319-332
  3. A Non-Empirical Effective Hamiltonian Technique For Polymers - Application To Polyacetylene And Polydiacetylene, BREDAS, JL; CHANCE, RR; SILBEY, R; NICOLAS, G; DURAND, P, Journal Of Chemical Physics, 75, 255-267
  4. Some Aspects Of Bonding And Binding In Polymeric Chains, ANDRE, JM; BREDAS, JL; DELHALLE, J, International Journal Of Quantum Chemistry, 19, 1105-1111
  5. Theoretical-Study Of Charge-Transfer And Bond Alternation In Doped Polyacetylene, BREDAS, JL; CHANCE, RR; SILBEY, R, Journal Of Physical Chemistry, 85, 756-758
  6. Restricted Hartree-Fock Investigation Of The Changes Induced In The Electronic-Structure Of An Infinite Chain Of Hydrogen-Atoms When Doping With Lithium, DELHALLE, J; BREDAS, JL; ANDRE, JM, Chemical Physics Letters, 78, 93-97
  1. Long-Range Interactions In Periodic Helices - A Method For Accurate Calculation At The Hartree-Fock Level, PIELA, L; ANDRE, JM; BREDAS, JL; DELHALLE, J, International Journal Of Quantum Chemistry, 17, 405-418
  2. AMO In Linear-Chains Of Hydrogen-Atoms Revisited, ANDRE, JM; BREDAS, JL; DELHALLE, J; KALENOV, Y; PIELA, L; CALAIS, JL, International Journal Of Quantum Chemistry, 17, 419-429
  3. Critical-Review Of The Electronic-Properties Of Polysulfur Nitride (SN)X, BREDAS, JL, Annales De La Societe Scientifique De Bruxelles Series 1-Sciences Mathematiques Astronomiques Et Physiques, 94, 83-128
  4. Multipole Expansion In Tight-Binding Hartree-Fock Calculations For Infinite-Model Polymers, DELHALLE, J; PIELA, L; BREDAS, JL; ANDRE, JM, Physical Review B, 22, 6254-6267
  5. FSGO-CO Study Of The Long-Range Effects On Calculated Conformational Stability And On One-Electron Levels Of Polyethylene, BREDAS, JL; ANDRE, JM; DELHALLE, J, Chemical Physics, 45, 109-118
  6. Importance Of The Long-Range Contributions In A Polymer Computation, Brédas, JL, Lecture Notes in Physics Series, 113, 92-103
  1. Long-Range Coulombic Interactions In The Theory Of Polymers - A Statement Of The Problem And A Method For Calculation By The Fourier Transformation Technique, ANDRE, JM; FRIPIAT, JG; DEMANET, C; BREDAS, JL; DELHALLE, J, International Journal Of Quantum Chemistry, 12, 233-247
  2. A Floating Spherical Gaussian Orbital Model For Polymers. II. Extended Formalism And Computational Procedure For Saturated And Conjugated Systems, BREDAS, JL; ANDRE, JM; FRIPIAT, JG; DELHALLE, J, Gazzetta Chimica Italiana, 108, 307-313
  3. On The Calculation Of Long-Range Coulombic Contributions To The Direct Space LCAO-CO Matrix-Elements Of Model Polymers, DELHALLE, J; ANDRE, JM; DEMANET, C; BREDAS, JL, Chemical Physics Letters, 54, 186-190
  1. A Floating Spherical Gaussian Orbital (FSGO) Model For Polymers - Calculation Of X-Ray-Diffraction Structure Factors, ANDRE, JM; BREDAS, JL, Chemical Physics, 20, 367-370