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Volumn 107, Issue 13, 1997, Pages 4951-4959

Ab initio study of nonadiabatic interactions in the photodissociation of ketene

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[No Author keywords available]

Indexed keywords


EID: 0001376755     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474890     Document Type: Article
Times cited : (35)

References (39)
  • 1
    • 36449009645 scopus 로고
    • E. R. Lovejoy and C. B. Moore, J. Chem. Phys. 98, 7846 (1994); E. R. Lovejoy, S. K. Kim, R. A. Alvarez, and C. B. Moore, ibid. 95, 4081 (1991).
    • (1994) J. Chem. Phys. , vol.98 , pp. 7846
    • Lovejoy, E.R.1    Moore, C.B.2
  • 7
    • 3743065164 scopus 로고
    • S. J. Klippenstein and R. A. Marcus, J. Chem. Phys. 93, 2481 (1990); S. J. Klippenstein, A. L. L. East, and W. D. Allen, ibid. 105, 118 (1996).
    • (1990) J. Chem. Phys. , vol.93 , pp. 2481
    • Klippenstein, S.J.1    Marcus, R.A.2
  • 13
    • 85033177630 scopus 로고    scopus 로고
    • (unpublished), as cited in Ref. 7
    • (b) (unpublished), as cited in Ref. 7.
  • 37
    • 85033186454 scopus 로고    scopus 로고
    • 1 symmetry by distorting the H-C-C-H dihedral angle by 0.001°
    • 1 symmetry by distorting the H-C-C-H dihedral angle by 0.001°.
  • 39
    • 0001535323 scopus 로고
    • The energy gradient vectors of the two potential energy surfaces at the minimum of the seam of crossing (MSX) are parallel and are perpendicular to the tangent of the seam of crossing. See K. Kato, R. L. Jaffe, A. Komornicki, and K. Morokuma, J. Chem. Phys. 78, 4567 (1983).
    • (1983) J. Chem. Phys. , vol.78 , pp. 4567
    • Kato, K.1    Jaffe, R.L.2    Komornicki, A.3    Morokuma, K.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.