Calculations of the excitation energies of all-trans and 11,12s-dicis retinals using localized molecular orbitals obtained by the elongation method

Journal of Chemical Physics

Volumn 107, Issue 9, 1997, Pages 3569-3575

  Kurihara, Youji ^a   Aoki, Yuriko ^a   Imamura, Akira ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0043008134     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474696     Document Type: Article

References (26)

1. For example, R. R. Birge, Biochim. Biophys. Acta 1016, 293 (1990).
2. R. W. Schoenlein, L. A. Peteanu, R. A. Mathies, and C. V. Shank, Science 254, 412 (1991).
3. R. A. Poirier and A. Yadav, Chem. Phys. Lett. 156, 122 (1989).
4. T. Hamanaka and T. Mitsui, Acta Cryst. B 28, 214 (1972).
5. C. J. Simmons, Acta Cryst. C 42, 1558 (1986).
6. R. D. Gilardi, I. L. Karle, and J. Karle, Acta Cryst. B 28, 2605 (1972).
7. C. J. Simmons, R. S. H. Liu, M. Denny, and K. Seff, Acta Cryst. B 37, 2197 (1981).
8. P. Du and E. R. Davidson, J. Phys. Chem. 94, 7013 (1990).
9. N. Ishikawa and Y. Kaizu, J. Phys. Chem. 100, 8722 (1996).
10. S. Grimme, S. D. Peyerimhoff, S. Bartram, F. Vögtle, A. Breest, and J. Hormes, Chem. Phys. Lett. 213, 32 (1993).
11. 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, Gaussian, Inc., Pittsburgh, PA, 1992.
12. J. D. Bene and H. H. Jaffé, J. Chem. Phys. 48, 1807, 4050 (1968).
13. A. Imamura, Y. Aoki, and K. Maekawa, J. Chem. Phys. 95, 5419 (1991).
14. For example, Y. Aoki, S. Suhai, and A. Imamura, Int. J. Quantum Chem. 52, 267 (1994); M. Mitani and A. Imamura, J. Chem. Phys. 103, 663 (1995).
15. For example, Y. Aoki, S. Suhai, and A. Imamura, Int. J. Quantum Chem. 52, 267 (1994); M. Mitani and A. Imamura, J. Chem. Phys. 103, 663 (1995).
16. K. Nishimoto and N. Malaga, Z. Phys. Chem. 12, 335 (1957).
17. V. Magnasco and A. Perico, J. Chem. Phys. 47, 971 (1967); 48, 800 (1968).
18. V. Magnasco and A. Perico, J. Chem. Phys. 47, 971 (1967); 48, 800 (1968).
19. E. R. Davidson, J. Comput. Phys. 17, 87 (1975).
20. J. R. Tallent, J. R. Birge, C.-F. Zhang, E. Wenderholm, and R. R. Birge, Photochem. Photobiol. 56, 935 (1992).
21. R. R. Birge and B. M. Pierce, J. Chem. Phys. 70, 165 (1979).
22. L. J. Weimann, G. M. Maggiora, and P. Blatz, Int. J. Quantum Chem. S2, 9 (1975).
23. S. Suhai, Phys. Rev. B 29, 4570 (1984).
24. S. Abe, J. Yu, and W. P. Su, Phys. Rev. B 45, 8264 (1992).
25. C. H. Martin, J. Phys. Chem. 100, 14 310 (1996).
26. C. H. Martin, Chem. Phys. Lett. 257, 229 (1996).