THE D+H2 REACTION - COMPARISON OF EXPERIMENT WITH QUANTUM-MECHANICAL AND QUASI-CLASSICAL CALCULATIONS

被引：73

作者：

KLINER, DAV

RINNEN, KD

ZARE, RN

机构：

[1] Department of Chemistry, Stanford University, Stanford

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 166卷 / 02期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(90)87260-X

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：

We have measured the HD(v′ = 1, J′) rotational distribution from the D + H2 reaction at a center-of-mass collision energy of about 1.05 eV. The experimental data are compared to distributions derived from two quantum-mechanical (QM) calculations and from a quasiclassical trajectory (QCT) calculation. We find essentially perfect agreement between experiment and the QM calculations, while the QCT results are too hot rotationally. © 1990.

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页码：107 / 111

页数：5

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