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Volumn 126, Issue 8, 2007, Pages

Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; CONDENSATION REACTIONS; CONTINUUM MECHANICS; CYCLOHEXANE; ETHANOL; MATHEMATICAL MODELS; PHOSPHORESCENCE; VIBRATIONAL SPECTRA;

EID: 33847615576     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2437197     Document Type: Article
Times cited : (493)

References (55)
  • 1
    • 33750044880 scopus 로고    scopus 로고
    • 1069-3599 10.1002/0471678856.ch3
    • S. Grimme, Rev. Comput. Chem. 1069-3599 10.1002/0471678856.ch3 20, 153 (2004); A. Drew and M. Head-Gordon, Chem. Rev. (Washington, D.C.) 105, 4009 (2005).
    • (2004) Rev. Comput. Chem. , vol.20 , pp. 153
    • Grimme, S.1
  • 8
    • 33745023657 scopus 로고    scopus 로고
    • 0009-2614 10.1016/j.cplett.2006.02.051
    • N. Rega, G. Brancato, and V. Barone, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2006.02.051 422, 367 (2006); G. Brancato, N. Rega, and V. Barone, J. Chem. Phys. 125, 164515 (2006).
    • (2006) Chem. Phys. Lett. , vol.422 , pp. 367
    • Rega, N.1    Brancato, G.2    Barone, V.3
  • 9
    • 84962428776 scopus 로고    scopus 로고
    • N. Rega, G. Brancato, and V. Barone, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2006.02.051 422, 367 (2006); G. Brancato, N. Rega, and V. Barone, J. Chem. Phys. 125, 164515 (2006).
    • (2006) J. Chem. Phys. , vol.125 , pp. 164515
    • Brancato, G.1    Rega, N.2    Barone, V.3
  • 40
    • 33847675995 scopus 로고    scopus 로고
    • To obtain the FORTRAN 77 code FCclasses, please e-mail to f.santoro@ipcf.cnr.it.
    • To obtain the FORTRAN 77 code FCclasses, please e-mail to f.santoro@ipcf.cnr.it.
  • 41
    • 0001475454 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.478522
    • C. Adamo and V. Barone, J. Chem. Phys. 0021-9606 10.1063/1.478522 110, 6158 (1999); M. Enzerhof and G. E. Scuseria, J. Chem. Phys. 110, 5029 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 6158
    • Adamo, C.1    Barone, V.2
  • 42
    • 0000284436 scopus 로고    scopus 로고
    • C. Adamo and V. Barone, J. Chem. Phys. 0021-9606 10.1063/1.478522 110, 6158 (1999); M. Enzerhof and G. E. Scuseria, J. Chem. Phys. 110, 5029 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 5029
    • Enzerhof, M.1    Scuseria, G.E.2
  • 43
    • 84962426273 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.1394921
    • M. Cossi and V. Barone, J. Chem. Phys. 0021-9606 10.1063/1.1394921 115, 4708 (2001); G. Scalmani, V. Barone, K. N. Kudin, C. S. Pomelli, G. E. Scuseria, and M. J. Frisch, Theor. Chem. Acc. 111, 90 (2004).
    • (2001) J. Chem. Phys. , vol.115 , pp. 4708
    • Cossi, M.1    Barone, V.2


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