An ab initio CI study of electronic spectra of substituted free-base porphyrins

Chemical Physics Letters

Volumn 318, Issue 6, 2000, Pages 590-596

  Yamamoto, Shigeyoshi ^a   Diercksen, Geerd H F ^b   Karelson, Mati ^c  

^a CHUKYO UNIVERSITY   (Japan)

^b MAX PLANCK INSTITUT FÜR ASTROPHYSIK   (Germany)

^c UNIVERSITY OF TARTU   (Estonia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000790346     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00093-2     Document Type: Article

References (35)

1. Oschsner M. J. Photochem. Photobiol. B. 39:1997;1.
2. Dougherty T.J. Photochem. Photobiol. 58:1993;895.
3. Moore J.V., West C.M.L., Whitehurst C. Phys. Biol. Med. 42:1997;913.
4. Borland C.F., McGarvey D.J., Truscott T.G., Cogdell R.J., Land E.J. J. Photochem. Photobiol. B. 1:1987;93.
5. B. Frank, M. Fulling, M. Gosmann, G. Knubel, H. Mertes, D. Schroder, in: Advances in Photochemotherapy, Proc. SPIE, Washington, DC, 1988, p. 115.
6. Wainwright M. Chem. Soc. Rev. 25:1996;351.
7. Karelson M., Pihlaja K., Tamm T., Uri A., Zerner M.C. J. Photochem. Photobiol. A. 85:1995;119.
8. Karelson M., Zerner M.C. J. Phys. Chem. 96:1992;6949.
9. M. Karelson, in: S. Wilson, G.H.F. Diercksen (Eds.), Problem Solving in Computational Molecular Science, Kluwer, Dordrecht, 1997, p. 353.
10. B. Roeder, D. Naether, T. Lewald, M. Braune, C. Nowak, W. Freyer, Biophys. Chem. 35 (1990) 303.
11. Dougherty T.J. Photochem. Photobiol. 45:1987;879.
12. Scurlock R.D., Nonell S., Braslavsky S.E., Ogilby P.R. J. Phys. Chem. 99:1995;3521.
13. M.A.J. Rodgers, in: R.V. Bensasson, G. Jori, E.J. Land, T.G. Truscott (Eds.), Primary Photoprocesses in Biology and Medicine, Plenum, New York, 1985, p. 1.
14. Cuomo V., Jori G., Rihter B., Kenney M.E., Rodgers M.A.J. Br. J. Cancer. 62:1990;966.
15. B. Frank, M. Fulling, M. Gosmann, G. Knubel, H. Mertes, D. Schroder, in: Advances in Photochemotherapy, Proc. SPIE, Washington, DC, 1988, p. 115.
16. Dewar M.J.S., Zoebisch E.G., Healy E.F., Stewart J.J.P. J. Am. Chem. Soc. 107:1985;3902.
17. AMPAC 6.0 with Graphical User Interface, Semichem, Inc., 7128 Summit, Shawnee, KS.
18. M.J. Frisch, et al., GAUSSIAN 94, Revision B.2, Gaussian, Inc., Pittsburgh, PA, 1995.
19. Yamamoto Y., Noro T., Ohno K. Int. J. Quantum Chem. 42:1992;1561.
20. Merchan M., Orti E., Roos B.O. Chem. Phys. Lett. 226:1994;27.
21. Nakatsuji H., Hasegawa J., Hada M. J. Chem. Phys. 104:1996;2321.
22. Foresman J.B., Head-Gordon M., Pople J.A., Frisch M.J. J. Phys. Chem. 96:1992;135.
23. Tokita Y., Hasegawa J., Nakatsuji H. J. Phys. Chem. A. 102:1998;1843.
24. Serrano-Andrés L., Merchán M., Rubio M., Roos B.O. Chem. Phys. Lett. 295:1998;195.
25. Gwaltney S.R., Bartlett R.J. J. Chem. Phys. 108:1998;6790.
26. Baker J.D., Zerner M.C. Chem. Phys. Lett. 175:1990;192.
27. S. Huzinaga, in: S. Huzinaga (Ed.), Gaussian Basis Sets for Molecular Calculations, Elsevier, Amsterdam, 1984, p. 1.
28. Huzinaga S. J. Chem. Phys. 42:1965;1293.
29. T.H. Dunning, Jr., P.J. Hay, in: H.F. Schaefer (Ed.), Methods in Electronic Structure Theory, Plenum, New York, 1977, p. 1.
30. Eisner U., Linstead R.P. J. Chem. Soc. London. 1955:1955;3749.
31. Nagashima U., Takada T., Ohno K. J. Chem. Phys. 85:1986;4524.
32. Gust D., Moore T.A., Luttrull D.K., Seely G.R., Bittersmann E., Bensasson R.V., Rougée M., Land E.J., De Schryver F.C., Van der Auweraer M. Photochem. Photobiol. 51:1990;419.
33. Gouterman M., Khalil G.-E. J. Mol. Spectrosc. 53:1974;88.
34. Karelson M. Adv. Quantum Chem. 28:1997;141.
35. M. Karelson, G.H.F. Diercksen, in: S. Wilson, G.H.F. Diercksen (Eds.), Problem Solving in Computational Molecular Science, Kluwer, Dordrecht, 1997, p. 215.