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

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 425卷 / 1-3期

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

页码：157 / 162

页数：6

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