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Volumn 119, Issue 44, 1997, Pages 10815-10820

Conical intersection mechanism for photochemical ring opening in benzospiropyran compounds

Author keywords

[No Author keywords available]

Indexed keywords

PYRAN DERIVATIVE;

EID: 0030727107     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9717323     Document Type: Article
Times cited : (86)

References (30)
  • 1
    • 16944364060 scopus 로고
    • Brown, G. H., Ed.; J. Wiley and Sons Inc.: New York, Chapter III
    • (a) Bertelson, R. C. In Photochromism; Brown, G. H., Ed.; J. Wiley and Sons Inc.: New York, 1971; Chapter III.
    • (1971) Photochromism
    • Bertelson, R.C.1
  • 2
    • 16944363952 scopus 로고
    • Dürr, H., Bouas-Laurent, H., Eds.; Elsevier: Amsterdam, Chapters 8 and 23
    • (b) Guglielmetti, R. In Photochromism: Molecules and Systems; Dürr, H., Bouas-Laurent, H., Eds.; Elsevier: Amsterdam, 1990; Chapters 8 and 23.
    • (1990) Photochromism: Molecules and Systems
    • Guglielmetti, R.1
  • 4
    • 0016988460 scopus 로고
    • (a) Berns, D. S. Photochem. Photobiol. 1976, 24, 117. For a recent application, see: Tanaka, M.; Yonezawa, Y. J. Phys. Chem. 1996, 100, 5160 and references therein,
    • (1976) Photochem. Photobiol. , vol.24 , pp. 117
    • Berns, D.S.1
  • 5
    • 33748597970 scopus 로고    scopus 로고
    • and references therein
    • (a) Berns, D. S. Photochem. Photobiol. 1976, 24, 117. For a recent application, see: Tanaka, M.; Yonezawa, Y. J. Phys. Chem. 1996, 100, 5160 and references therein,
    • (1996) J. Phys. Chem. , vol.100 , pp. 5160
    • Tanaka, M.1    Yonezawa, Y.2
  • 21
    • 16944364855 scopus 로고    scopus 로고
    • A development version of Gaussian 94 with a new CAS-CI code has been used for these computations (PC)
    • (b) A development version of Gaussian 94 with a new CAS-CI code has been used for these computations (PC).
  • 24
    • 16944364661 scopus 로고    scopus 로고
    • note
    • (b) At an optimized point on the hypersphere, the gradient is zero in the subspace on the n - 1 variables excluding the constraint corresponding to the radius of the hypersphere. The gradient in the full n-dimensional space (the "residual forces") points in the direction of the steepest decent path in mass-weighted coordinates and corresponds to the initial relaxation direction.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.