QUANTUM-MECHANICAL CALCULATION OF THE RATE-CONSTANT FOR THE REACTION H+O2-]OH+O

被引：101

作者：

LEFORESTIER, C ^{[1
]}

MILLER, WH ^{[1
]}

机构：

[1] LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 01期

关键词：

D O I：

10.1063/1.466940

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：

Rigorous three-dimensional quantum mechanical calculations have been carried out for the cumulative reaction probability of the titled reaction for total angular momentum, J=0. Higher values of J are included approximately, and the resulting thermal rate constant agrees well with experimental values for 800 less-than-or-equal-to T less-than-or-equal-to 3000 K.

引用

页码：733 / 735

页数：3

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