Ab initio polarizabilities of polyenic chains with conformational defects

Chemical Physics Letters

Volumn 261, Issue 1-2, 1996, Pages 28-34

  De Melo, Celso P ^a   Fonseca, Tertius L ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030580009     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00937-2     Document Type: Article

References (29)

1. [1] T.A. Skotheim, ed., Handbook of conducting polymers, vols. I and II (Dekker, New York, 1986).
2. [2] S. Roth, Adv. Phys. 36 (1987) 385.
3. [3] T. Anderson and S. Roth, Braz. J. Phys. 24 (1994) 756.
4. [4] D.J. Williams, ed., Nonlinear optical properties of organic and polymeric materials (American Chemical Society, Washington, 1983).
5. [5] P.N. Prasad and D.R. Ulrich, Nonlinear optical and electroactive polymers (Plenum, New York, 1988).
6. [6] P.N. Prasad and D.J. Williams, Introduction to nonlinear optical effects in molecules and polymers (Wiley, New York, 1991).
7. [7] G.S.W. Craig, R.E. Cohen, R.R. Schrock, R.J. Silbey, G. Puccetti, I. Ledoux and J. Zyss, J. Am. Chem. Soc. 115 (1993) 860.
8. [8] B. Champagne and J.-M. André, Int. J. Quant. Chem. 42 (1992) 1009.
9. [9] J.L. Toto, T.T. Toto, C.P. de Melo and K.A. Robins, J. Chem. Phys. 101 (1994) 3945.
10. [10] J.L. Toto, T.T. Toto, C.P. de Melo and K.A. Robins, J. Chem. Phys. 102 (1995) 8048.
11. [11] K.A. Robins, S.-J. Kim, J.L. Toto, M. Hasan, T.T. Toto, C.P. de Melo and B. Kirtman, Synth. Met. 71 (1995) 1671.
12. [12] B. Kirtman, J.L. Toto, K.A. Robins and M. Hasan, J. Chem. Phys. 102 (1995) 5350.
13. [13] B. Champagne, private communication.
14. [14] T.T. Toto, J.L. Toto, C.P. de Melo, M. Hasan and B. Kirtman, Chem. Phys. Lett. 244 (1995) 59.
15. [15] J.L. Toto, T.T. Toto and C.P. de Melo, Chem. Phys. Lett. 245 (1995) 660.
16. [16] J.L. Toto, T.T. Toto, C.P. de Melo, B. Kirtman and K.A. Robins, J. Chem. Phys. 104 (1996) 8586.
17. [17] L. Salem, The molecular orbital theory of conjugated systems (Benjamin, New York, 1966).
18. [18] C.P. de Melo and R. Silbey, Chem. Phys. Lett. 140 (1987) 537.
19. [19] C.P. de Melo and R. Silbey, J. Chem. Phys. 88 (1988) 2558.
20. [20] C.P. de Melo and R. Silbey, J. Chem. Phys. 88 (1988) 2567.
21. [21] A. Villesuzanne, J. Hoarau, L. Ducasse, L. Olmedo and P. Hourquebie, J. Chem. Phys. 96 (1992) 495.
22. [22] L. Ducasse, A. Villesuzanne, J. Hoarau and A. Fritsch, J. Chem. Phys. 97 (1992) 9389.
23. [23] L. Ducasse, A. Villesuzanne and J. Hoarau, Synth. Metals 55-57 (1993) 4536.
24. [24] G.J. B. Hurst, M. Dupuis and E. Clementi, J. Chem. Phys. 89 (1988) 385.
25. [25] M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart and J.A. Pople, GAUSSIAN 92, Revision B (Gaussian, Pittsburgh, PA, 1992).
26. [26] M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jansen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis and J.A. Montgomery, J. Comput. Chem. 14 (1993) 1347.
27. [27] H.O. Villar, M. Dupuis, J.D. Watts, G.J.B. Hurst and E. Clementi, J. Chem. Phys. 88 (1988) 1003.
28. [28] H.O. Villar, M. Dupuis and E. Clementi, Phys. Rev. B 37 (1988) 2520.
29. [29] H.O. Villar, M. Dupuis and E. Clementi, J. Chem. Phys. 88 (1988) 2859.