A wave-packet calculation of the effect of reactant rotation and alignment on product branching in the O({sup 1}D)+HCl{yields}ClO+H, OH+Cl reactions
Journal Article
·
· Journal of Chemical Physics
- Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States)
We report results of wave-packet calculations of the reaction probabilities for the O({sup 1}D)+HCl(v=0,j,K){yields}ClO+H, OH+Cl, reactions, using a recent ab initio potential energy surface [K. A. Peterson, S. Skokov, and J. M. Bowman, J. Chem. Phys. 111, 2445 (1999)]. We find a striking effect of the initial rotation and alignment of HCl on the product branching ratio. (c) 2000 American Institute of Physics.
- OSTI ID:
- 20216841
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 1 Vol. 113; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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