Photodisociation of Methyl Iodide Studied by Wavepacket Propagation

被引:0
|
作者
朱武生 [1 ]
赵新生 [1 ]
机构
[1] 北京大学化学系
关键词
辛算法; 光解; 碘甲烷;
D O I
暂无
中图分类号
O623.21 [饱和脂烃卤代衍生物];
学科分类号
摘要
三步量子辛算法进行波包演化被用于研究碘甲烷的光解。理论对各种动力学性质作出了预言。这些性质包括:吸收截面、产物的振动分布、反应通道比。模拟预言了碘甲烷光解中的选模化学行为。
引用
收藏
页码:33 / 37
页数:5
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