A theoretical study of the linear, nonlinear optical properties and conformational analysis of 3-phenylthiophene and its fluoro derivatives with torsional dependence

Shirakawa, 1977, The Journal of Chemical Society Chemical Communications, 16, 578, 10.1039/c39770000578 Roncali, 1992, Chemical Reviews, 92, 711, 10.1021/cr00012a009 Gofer, 1998, Journal of Electroanalytical Chemistry, 443, 103, 10.1016/S0022-0728(97)00473-7 Gurunathan, 1999, Materials Chemistry and Physics, 61, 173, 10.1016/S0254-0584(99)00081-4 Zhang, 2004, Journal of Electroanalytical Chemistry, 569, 197, 10.1016/j.jelechem.2004.03.001 Ferraris, 1998, Journal of Electroanalytical Chemistry, 459, 57, 10.1016/S0022-0728(98)00318-0 De-Oliveria, 2000, Physical Chemistry Chemical Physics, 2, 3373, 10.1039/b003806g Charbonneau, 1976, Acta Crystallographica Section B, 32, 1420, 10.1107/S0567740876005487 Charbonneau, 1977, Acta Crystallographica Section B, 33, 1586, 10.1107/S0567740877006566 Bree, 1978, Chemical Physics Letters, 55, 319, 10.1016/0009-2614(78)87028-6 Cheng, 1972, Journal of the Chemical Society, Faraday Transactions, 68, 1679, 10.1039/f29726801679 Eaton, 1973, Journal of the Chemical Society, Faraday Transactions, 69, 1601, 10.1039/f29736901601 Allmeningen, 1985, Journal of Molecular Structure, 128, 59, 10.1016/0022-2860(85)85041-9 Bastiansen, 1985, Journal of Molecular Structure, 128, 115, 10.1016/0022-2860(85)85044-4 Gigli, 2001, Physical Review Letters, 86, 167, 10.1103/PhysRevLett.86.167 Lukes, 2002, Journal of Molecular Structure: THEOCHEM, 618, 93, 10.1016/S0166-1280(02)00429-3 Hilal, 1978, Tetrahedron, 34, 785, 10.1016/0040-4020(78)88119-8 Pan, 2002, Chemical Physics Letters, 363, 18, 10.1016/S0009-2614(02)00934-X Becke, 1993, The Journal of Chemical Physics, 98, 5648, 10.1063/1.464913 Lee, 1988, Physical Review, B37, 785, 10.1103/PhysRevB.37.785 Cohen, 1965, The Journal of Chemical Physics, 43, S34, 10.1063/1.1701512 Møller, 1934, Physcal Review, 46, 618, 10.1103/PhysRev.46.618 Clark, 1983, Journal of Computational Chemistry, 4, 294, 10.1002/jcc.540040303 M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A., GAUSSIAN03, Revision B.05, Pople, Gaussian, Inc., Pittsburgh, PA, 2003. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98, Revision A.7, Gaussian, Inc., Pittsburgh PA, 1998. Ando, 2002, Synthetic Metals, 129, 207, 10.1016/S0379-6779(02)00056-5 Dibari, 1988, Chemical Physics Letters, 143, 263, 10.1016/0009-2614(88)87378-0 Duarte, 2000, The Journal of Chemical Physics, 113, 4206, 10.1063/1.1288383 Mannfors, 1997, Journal of Molecular Structure: THEOCHEM, 393, 39, 10.1016/S0166-1280(96)04979-2 Lehtonen, 2003, Journal of Molecular Structure: THEOCHEM, 663, 91, 10.1016/j.theochem.2003.08.065 Galasso, 1971, Tetrahedron, 27, 4947, 10.1016/S0040-4020(01)98200-6