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State-selected chemical reaction dynamics at the S matrix level - Final-state specificities of near-threshold processes at low and high energiesState-to-state reaction probabilities are found to be highly final-state specific at state-selected threshold energies for the reactions O + H2 yield OH + H and H + H2 yield H2 + H. The study includes initial rotational states with quantum numbers 0-15, and the specificity is especially dramatic for the more highly rotationally excited reactants. The analysis is based on accurate quantum mechanical reactive scattering calculations. Final-state specificity is shown in general to increase with the rotational quantum number of the reactant diatom, and the trends are confirmed for both zero and nonzero values of the total angular momentum.
Document ID
19920047408
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Chatfield, David C.
(NASA Ames Research Center Moffett Field, CA, United States)
Truhlar, Donald G.
(Minnesota, University Minneapolis, United States)
Schwenke, David W.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 15, 2013
Publication Date
March 15, 1992
Publication Information
Publication: Journal of Chemical Physics
Volume: 96
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
92A30032
Distribution Limits
Public
Copyright
Other

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