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Volumn 118, Issue 1, 1996, Pages 169-175

The azulene S1 state decays via a conical intersection: A CASSCF study with MMVB dynamics

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001234390     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9514555     Document Type: Article
Times cited : (179)

References (105)
  • 11
    • 5344256325 scopus 로고    scopus 로고
    • 4833
    • (e) 4833.
  • 12
    • 5344254697 scopus 로고
    • Levine, R., Jortner, J., Eds.; Wiley: New York
    • (f) Huppert, D.; Rentzepis, P. M. In Molecular Energy Transfer, Levine, R., Jortner, J., Eds.; Wiley: New York, 1976; pp 275-279.
    • (1976) Molecular Energy Transfer , pp. 275-279
    • Huppert, D.1    Rentzepis, P.M.2
  • 46
    • 0004236128 scopus 로고
    • Academic Press: New York
    • (c) Kauzmann, W. Quantum Chemistry; Academic Press: New York, 1957; pp 696-697.
    • (1957) Quantum Chemistry , pp. 696-697
    • Kauzmann, W.1
  • 78
    • 0003907059 scopus 로고
    • Lim, E. C., Ed.; Academic Press: New York
    • 1 geometry was obtained by calculating changes relative to the ground state from Franck-Condon factors: Innes, K. K. In Excited States; Lim, E. C., Ed.; Academic Press: New York, 1975; Vol. 2.
    • (1975) Excited States , vol.2
    • Innes, K.K.1
  • 100
    • 5344268256 scopus 로고
    • (k) Negn, F.; Zgierski, M. Z. J. Chem. Phys. 1993, 99, 4318-4326. Eight electron CASSCF calculations with nine active Orbitals.
    • (1993) J. Chem. Phys. , vol.99 , pp. 4318-4326
    • Negn, F.1    Zgierski, M.Z.2
  • 101
    • 5344239709 scopus 로고    scopus 로고
    • Unpublished density functional theory results
    • (l) Handy, N. C; Amos, R. D. Unpublished density functional theory results,
    • Handy, N.C.1    Amos, R.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.