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Volumn 102, Issue 3, 1998, Pages 486-492

Discrimination between hydrogen atom and proton abstraction in the quenching of n, π* singlet-excited states by protic solvents

Author keywords

Chemical kinetics; Computer experiments; Fluorescence; Isotope effects; Photochemistry

Indexed keywords


EID: 0001542628     PISSN: 0940483X     EISSN: None     Source Type: Journal    
DOI: 10.1002/bbpc.19981020330     Document Type: Article
Times cited : (35)

References (55)
  • 28
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    • M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.C. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. AlLaham, V.G. Zakrzewski. J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R. L. Martin, D.J. Fox, J.S. Binkiey, D.J. Octrees. J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople. Gaussian, Inc., Pittsburgh PA
    • b) The MC-SCF program we used is implemented in Gausstan 94, Revision B.2, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.C. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. AlLaham, V.G. Zakrzewski. J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R. L. Martin, D.J. Fox, J.S. Binkiey, D.J. Octrees. J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople. Gaussian, Inc., Pittsburgh PA, 1995.
    • (1995) Gausstan 94, Revision B.2
  • 30
    • 0003985620 scopus 로고
    • K. Andersson, M. R. A. Blomberg, M. Fülscher, V. Kel,ö, R. Lindh, P.-A. Malmqvist, J. Noga, J. Olsen, B.O. Roos, A.J. Sadlej, P.E.M. Siegbahn, M. Urban, and P.O. Widmark, University of Lund, Sweden
    • b) MOLCAS, Version 3, K. Andersson, M. R. A. Blomberg, M. Fülscher, V. Kel,ö, R. Lindh, P.-A. Malmqvist, J. Noga, J. Olsen, B.O. Roos, A.J. Sadlej, P.E.M. Siegbahn, M. Urban, and P.O. Widmark, University of Lund, Sweden, 1994.
    • (1994) MOLCAS, Version 3
  • 31
    • 85086292533 scopus 로고    scopus 로고
    • note
    • 3OH + pyrazoline this procedure affords indeed the expected point of intersection, it is slightly more displaced along the IRC than L? (O-H 1.4 Å and H-N 1.1 Å).
  • 51
    • 33646913552 scopus 로고    scopus 로고
    • note
    • -1. These artificial, but not entirely unreasonable assumptions in the experimental data yield an isotope effect close to the computed one (30 versus 27).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.