Improved canonical and microcanonical variational transition state theory calculations for a polyatomic reaction: OH+H/sub 2/. -->. H/sub 2/O+H
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:6174498
We have applied improved canonical and microcanonical variational transition state theories to the calculation of the rate constants for the polyatomic reaction OH+H/sub 2/..-->..H/sub 2/O+H over the temperature range 200--2400 K using the Schatz--Elgersma fit to the Walch--Dunning ab i
- Research Organization:
- Department of Chemistry, Miami University, Oxford, Ohio 45056
- OSTI ID:
- 6174498
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 82:3; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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