NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
Total integral reactive cross sections for F + H2 yielding HF + H - Comparison of converged quantum, quasiclassical trajectory and experimental resultsThe paper reports converged quantum total integral reactive cross sections for the reaction F + H2 yielding HF + H, for initial rotational states j sub i = 0 and 1, using a time-dependent method. The results are compared to classical results and to the experimental results of Neumark et al. (1985). Strong quantum effects are found in the threshold region for both initial states (i.e., in the dependence of the reaction on initial state for low energies). The classical results agree better with experiment than do the quantum results; this appears to be due to errors in the potential used.
Document ID
19920036556
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Neuhauser, Daniel
(Princeton University NJ, United States)
Judson, Richard S.
(Sandia National Laboratories Livermore, CA, United States)
Jaffe, Richard L.
(NASA Ames Research Center Moffett Field, CA, United States)
Baer, Michael
(Israel Atomic Energy Commission, Soreq Nuclear Research Centre Yavne, United States)
Kouri, Donald J.
(Houston, University TX, United States)
Date Acquired
August 15, 2013
Publication Date
February 1, 1991
Publication Information
Publication: Chemical Physics Letters
Volume: 176
ISSN: 0009-2614
Subject Category
Atomic And Molecular Physics
Accession Number
92A19180
Funding Number(s)
CONTRACT_GRANT: DE-AC04-76DP-00789
CONTRACT_GRANT: NAG2-503
Distribution Limits
Public
Copyright
Other

Available Downloads

There are no available downloads for this record.
No Preview Available