Reaction dynamics for O(3P)+HD. V. Reduced dimensionality quantum and quasiclassical reaction probabilities and rate constants with an adiabatic incorporation of the bending motion
- 15 February 1987
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 86 (4), 1967-1975
- https://doi.org/10.1063/1.452147
Abstract
Reduced dimensionality exact quantum and quasiclassical reaction probabilities and rate constants are presented for the O(3P)+HD(ν=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.Keywords
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