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Volumn 129, Issue 20, 2007, Pages 6405-6424

Ab initio study of ultrafast photochemical reaction dynamics of phenol blue

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION MEASUREMENTS; PHENOL BLUE (PB); SOLVATOCHROMIC DYES; TRAJECTORY SURFACE HOPPING (TSH);

EID: 34249333448     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066994w     Document Type: Article
Times cited : (11)

References (42)
  • 32
    • 0042290834 scopus 로고    scopus 로고
    • Conical Intersections
    • Domcke, W, Yarkony, D. R, Koppel, H, Eds, World Scientific: Singapore
    • Domcke, W., Yarkony, D. R., Koppel, H., Eds. Conical Intersections; Advanced Series in Physical Chemistry, Vol. 15; World Scientific: Singapore, 2004.
    • (2004) Advanced Series in Physical Chemistry , vol.15
  • 33
    • 34249323620 scopus 로고    scopus 로고
    • Werner, H.-J, et al. MOLPRO, version 2002.6, a package of ab initio programs; 2003; see
    • Werner, H.-J.; et al. MOLPRO, version 2002.6, a package of ab initio programs; 2003; see http://www.molpro.net.
  • 35
    • 34249331922 scopus 로고    scopus 로고
    • Gaussian, Inc, Wallingford CT
    • Frisch, M. J.; et al. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford CT, 2004.
    • (2004) Gaussian 03, revision , Issue.C.02
    • Frisch, M.J.1
  • 39
    • 34249322219 scopus 로고    scopus 로고
    • In the case that the PB molecule is located on the minus (plus) side of the x2 axis near the CI point in the branching plane, the h01 is directed to the x1(-x 1) vector and the nuclear motion along the x1 vector promotes a nonadiabatic transition
    • 1 vector promotes a nonadiabatic transition.
  • 40
    • 34249323981 scopus 로고    scopus 로고
    • 1 states is zero.
    • 1 states is zero.
  • 41
    • 34249325757 scopus 로고    scopus 로고
    • The two trajectories shown in Figures 9 and 10 are the same until 110.79 fs. The other trajectories leading to the Reverse and Forward reactions are shown in Figures S6 and S7 of the Supporting Information.
    • The two trajectories shown in Figures 9 and 10 are the same until 110.79 fs. The other trajectories leading to the Reverse and Forward reactions are shown in Figures S6 and S7 of the Supporting Information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.