Unimolecular and bimolecular calculations for HN2

被引：47

作者：

Caridade, PJSB ^{[1
]}

Rodrigues, SPJ ^{[1
]}

Sousa, F ^{[1
]}

Varandas, AJC ^{[1
]}

机构：

[1] Univ Coimbra, Dept Quim, P-3004535 Coimbra, Portugal

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2005年 / 109卷 / 10期

关键词：

D O I：

10.1021/jp045102g

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：

Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N-2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants.

引用

页码：2356 / 2363

页数：8

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