EXTRAPOLATION METHOD FOR CROSS-SECTION FROM QUANTUM-MECHANICAL J=0 REACTIVITY - H+O-2

被引：25

作者：

VARANDAS, AJC

机构：

[1] Departamento de Química, Universidade de Coimbra, Coimbra Codex

来源：

MOLECULAR PHYSICS | 1995年 / 85卷 / 06期

关键词：

D O I：

10.1080/00268979500101731

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 method is suggested to extract the total cross-section from the J = 0 quantum mechanical reactive probability. It uses a J-distribution defined from the cut-off total angular momentum, which is calibrated using quasiclassical trajectories. For the title reaction, the calculated total cross-section as a function of energy shows for the first time a sharp maximum in agreement with experiment.

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页码：1159 / 1164

页数：6

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