Comparative study of the reaction dynamics of the O(/sup 3/P)+H/sub 2/. -->. OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:5658704
Collinear exact quantum and quasiclassical rate constants and transmission coefficients are presented for the O(/sup 3/P)+H/sub 2/ (..nu..), ..nu.. = 0,1 reaction, using the quantum and quasiclassical trajectory reaction probabilities calculated in the preceding paper and by Clary, et al. (D. C. Clary, J. N. L. Connor, and C. J. Edge, Chem. Phys. Lett. 68, 154 (1979)) on a total of five potential energy surfaces.
- Research Organization:
- Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 5658704
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 76:7; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Recovering a full dimensional quantum rate constant from a reduced dimensionality calculation: Application to the OH+CO{r_arrow}H+CO{sub 2} reaction
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Wed Jul 01 00:00:00 EDT 1981
· J. Chem. Phys.; (United States)
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OSTI ID:6456115
Comparative study of the reaction dynamics of several potential energy surfaces for O(/sup 3/P)+H/sub 2/. -->. OH+H. II. Collinear exact quantum and quasiclassical reaction probabilities
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Wed Mar 31 23:00:00 EST 1982
· J. Chem. Phys.; (United States)
·
OSTI ID:5583307
Recovering a full dimensional quantum rate constant from a reduced dimensionality calculation: Application to the OH+CO{r_arrow}H+CO{sub 2} reaction
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Thu Aug 01 00:00:00 EDT 1996
· Journal of Chemical Physics
·
OSTI ID:286321
Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COMBUSTION
ELEMENTS
ENERGY
HYDROGEN
KINETICS
NONMETALS
OXIDATION
OXYGEN
POTENTIAL ENERGY
PROBABILITY
REACTION KINETICS
THERMOCHEMICAL PROCESSES
400201* -- Chemical & Physicochemical Properties
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COMBUSTION
ELEMENTS
ENERGY
HYDROGEN
KINETICS
NONMETALS
OXIDATION
OXYGEN
POTENTIAL ENERGY
PROBABILITY
REACTION KINETICS
THERMOCHEMICAL PROCESSES