Chemical Physics Letters, Vol.425, No.1-3, 157-162, 2006
Time-dependent quantum study of the kinetics of the O(P-3)+CN(X2+)-> CO(X1+)+N(D-2) reaction
Time-dependent wave packet calculations have been performed for the O + CN -> CO + N reaction. The state-to-state and state-to-all reaction probabilities for total angular momentum J = 0 have been calculated. The probabilities for J > 0 have been estimated from the J = 0 results by using J-shifting approximation based on a capture model. Then, the integral cross-sections and thermal rate constants have been calculated. (c) 2006 Elsevier B.V. All rights reserved.