Quasi-classical dynamics calculations and state-selected rate coefficients for H+H2(υ,j)→3H processes:: application to the global dissociation rate under thermal conditions

被引：48

作者：

Esposito, F ^{[1
]}

Gorse, C ^{[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 / 303卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(99)00241-9

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：

The quasi-classical trajectory method has been applied to the calculation of a complete set of cross-sections for the H + H-2(upsilon,j) --> 3H processes, using the LSTH potential energy surface. The results have been used to get the global dissociation rate of molecular hydrogen induced by atomic hydrogen, obtaining good agreement with experimental results. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：636 / 640

页数：5

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