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Converged three-dimensional quantum mechanical reaction probabilities for the F + H2 reaction on a potential energy surface with realistic entrance and exit channels and comparisons to results for three other surfacesAccurate three-dimensional quantum mechanical reaction probabilities are presented for the reaction F + H2 yields HF + H on the new global potential energy surface 5SEC for total angular momentum J = 0 over a range of translational energies from 0.15 to 4.6 kcal/mol. It is found that the v-prime = 3 HF vibrational product state has a threshold as low as for v-prime = 2.
Document ID
19910053568
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Lynch, Gillian C.
(Minnesota Univ. Minneapolis, MN, United States)
Halvick, Philippe
(Minnesota Univ. Minneapolis, MN, United States)
Zhao, Meishan
(Minnesota Univ. Minneapolis, MN, United States)
Truhlar, Donald G.
(Minnesota, University Minneapolis, United States)
Yu, Chin-Hui
(Minnesota Univ. Minneapolis, MN, United States)
Kouri, Donald J.
(Houston, University TX, United States)
Schwenke, David W.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 15, 2013
Publication Date
June 1, 1991
Publication Information
Publication: Journal of Chemical Physics
Volume: 94
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Distribution Limits
Public
Copyright
Other
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