| 氯原子与丙烷反应的准经典轨线研究 |
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| 引用本文： | 张天莉,徐立进,严继民,孔繁敖.氯原子与丙烷反应的准经典轨线研究[J].物理化学学报,1999,15(11):1045-1048. |
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| 作者姓名： | 张天莉 徐立进 严继民 孔繁敖 |
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| 作者单位： | Institute of Chenistry,Chinese Academy of Sciences,Beijing 100080 |
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| 摘 要： | 氢原子取代反应为化学反应动力学的研究提供了许多有用的信息,人们对这些轻原子转移反应在理论和实验上都进行了大量研究［１］．最近,一些实验对Ｃｌ原子与烃反应提供了直接信息．Ｓｉｍｐｓｏｎ等［２］利用核抽取的方法测量相关态和散射分布来研究Ｃｌ原子与振动激发态...
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| 关 键 词： | 准经典轨线计算 丙烷 碰撞复合物 |
| 收稿时间： | 1998-12-31 |
| 修稿时间： | 1999-04-29 |
A Quasiclassical Trajectory Study for Reaction of Chlorine with Propane |
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| Zhang Tianli,Xu Lijin,Yan Jimin,Kong Fan'ao.A Quasiclassical Trajectory Study for Reaction of Chlorine with Propane[J].Acta Physico-Chimica Sinica,1999,15(11):1045-1048. |
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| Authors: | Zhang Tianli Xu Lijin Yan Jimin Kong Fan'ao |
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| Institution: | Institute of Chenistry,Chinese Academy of Sciences,Beijing 100080 |
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| Abstract: | The reaction of •Cl+CH(CH3)2•CH(CH3)2+HCl was studied by a 3 atom quasiclassical trajectory calculation. The results indicate that the angular distribution of HCl molecule does not show apparent anisotropy, and HCl is in the vibrationally ground state and the first excited state. The reaction trajectories show that a short lived collision complex is formed during the reaction process, so the angular distribution of product molecule does not show some intense scattering direction. |
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| Keywords: | Quasiclassical trajectory calculation Propane Collision complex |
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