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化学进展  2006 

化学反应散射共振态的实验检测与理论模拟*

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Keywords: 反应性共振,交叉分子束,光分离光谱,势能面,量子反应散射理论

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Abstract:

化学反应中的散射共振态(或称反应性共振)控制着化学反应的分支比、产物的态分布及空间分布等。反应性共振的实验检测分为间接法和直接法。从理论上,一是构造反应体系的势能面,从势能面过渡态的结构来研究散射共振态;二是计算态-态反应动力学,尤其是用寿命矩阵来研究散射共振态。本文介绍反应性散射共振态的实验检测及理论模拟方法,并对今后的发展动向作出展望。

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