Cross sections and rate constants for the O(D-1)+H-2 reaction using a single-valued energy-switching potential energy surface

被引：36

作者：

Varandas, AJC

Voronin, AI

Riganelli, A

Caridade, PJSB

机构：

[1] Departamento de Química, Universidade de Coimbra

来源：

CHEMICAL PHYSICS LETTERS | 1997年 / 278卷 / 4-6期

关键词：

D O I：

10.1016/S0009-2614(97)01005-1

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：

A realistic single-valued energy-switching potential energy surface recently proposed for the water molecule has been used to perform quasiclassical trajectory calculations for the title reaction. The calculated cross sections and rate constants are compared with theoretical and experimental data, particularly with a view to assess the temperature dependence of the rate constant. (C) 1997 Elsevier Science B.V.

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页码：325 / 332

页数：8

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