Reaction dynamics for O(/sup 3/P)+HD. V. Reduced dimensionality quantum and quasiclassical reaction probabilities and rate constants with an adiabatic incorporation of the bending motion
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:7149560
Reduced dimensionality exact quantum and quasiclassical reaction probabilities and rate constants are presented for the O(/sup 3/P)+HD(..nu.. = 0,1)..-->..OH+D and OD+H reactions. The effective potential energy surface used is the ab initio collinear MODPOLCI surface with the ground state adiabatic bending energy added in, as in the previous paper in this series. The rate constants are compared with the recent experiments of Gordon et al.
- Research Organization:
- Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616
- OSTI ID:
- 7149560
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 86:4
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
HYDROGEN
CHEMICAL REACTION KINETICS
HYDROGEN DEUTERIDE
OXYGEN
POTENTIAL ENERGY
PROBABILITY
DEUTERIDES
DEUTERIUM COMPOUNDS
ELEMENTS
ENERGY
HYDROGEN COMPOUNDS
KINETICS
NONMETALS
REACTION KINETICS
400201* - Chemical & Physicochemical Properties
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
HYDROGEN
CHEMICAL REACTION KINETICS
HYDROGEN DEUTERIDE
OXYGEN
POTENTIAL ENERGY
PROBABILITY
DEUTERIDES
DEUTERIUM COMPOUNDS
ELEMENTS
ENERGY
HYDROGEN COMPOUNDS
KINETICS
NONMETALS
REACTION KINETICS
400201* - Chemical & Physicochemical Properties