Quasiclassical molecular dynamic calculations of vibrationally and rotationally state selected dissociation cross-sections:: N+N2(v,j)→3N

被引：75

作者：

Esposito, F ^{[1
]}

Capitelli, M ^{[1
]}

机构：

[1] Univ Bari, Dipartmento Chim, CNR, Ctr Studio Chim Plasmi, I-70126 Bari, Italy

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 302卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(99)00099-8

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：

Complete sets of dissociation cross-sections for the process N + N-2(upsilon,j) --> 3N have been calculated by using a quasiclassical trajectory method over a potential energy surface developed by Lagana et al. (J. Phys. Chem. 91 (1987) 312). The results have been then used to calculate the global dissociation rate of the process for thermal conditions. The results show an Arrhenius behaviour and are in good agreement with experimental values. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：49 / 54

页数：6

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