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Journal of Chemical Physics, Vol.113, No.1, 1-3, 2000
A wave-packet calculation of the effect of reactant rotation and alignment on product branching in the O(D-1)+HCl -> ClO+H, OH+Cl reactions
We report results of wave-packet calculations of the reaction probabilities for the O(D-1)+HCl(v=0,j,K)--> 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.