Time-dependent quantum study of the kinetics of the O(3P)+CN(X2+)→CO(X1+)+N(2D) reaction

被引:2
|
作者
Gogtas, Fahrettin [1 ]
机构
[1] Firat Univ, Dept Phys, Fac Sci & Arts, TR-23119 Elazig, Turkey
关键词
D O I
10.1016/j.cplett.2006.05.018
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:157 / 162
页数:6
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