| 反应物振动激发对反应He+H+2→HeH++H影响的准经典轨线研究 |
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| 引用本文： | 孔浩,刘新国,许文武,张庆刚.反应物振动激发对反应He+H+2→HeH++H影响的准经典轨线研究[J].物理化学学报,2009,25(5):935-940. |
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| 作者姓名： | 孔浩 刘新国 许文武 张庆刚 |
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| 作者单位： | College of Physics and Electronics, Shandong Normal University, Jinan 250014, P. R. China |
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| 摘 要： | 基于PPA势能面(Palmieri, P.; Puzzarini, C.; Aquilanti, V. Mol. Phys., 2000, 98: 1835), 运用准经典轨线(quasi-classical trajectory)方法, 对反应He+H+2 (v=0-2, j=0)→HeH++H的立体动力学性质进行了理论研究. 结果表明, 反应物振动激发对反应的k-j'两矢量相关和k-k'-j'三矢量相关分布都产生了较大影响. 除此之外, 极化微分反应截面对振动量子数v也非常敏感.
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| 关 键 词： | 矢量相关 极化微分反应截面 振动量子数 准经典轨线方法 |
| 收稿时间： | 2008-12-01 |
| 修稿时间： | 2009-02-23 |
A Quasi-Classical Trajectory Study on the Effect of Reagent Vibrational Excitation on the Reaction of He+H+2→HeH++H |
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| KONG Hao,LIU Xin-Guo,XU Wen-Wu,ZHANG Qing-Gang.A Quasi-Classical Trajectory Study on the Effect of Reagent Vibrational Excitation on the Reaction of He+H+2→HeH++H[J].Acta Physico-Chimica Sinica,2009,25(5):935-940. |
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| Authors: | KONG Hao LIU Xin-Guo XU Wen-Wu ZHANG Qing-Gang |
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| Institution: | College of Physics and Electronics, Shandong Normal University, Jinan 250014, P. R. China |
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| Abstract: | We studied the dynamical stereochemistry of the He+H+2 (v=0-2, j=0)→HeH++Hreactions using the quasi-classical trajectory (QCT) method on a PPA surface (Palmieri, P. ; Puzzarini, C.; Aquilanti, V. Mol. Phys., 2000, 98: 1835). Results indicate that the reagent's vibrational excitation has a considerable influence on the distributions of the k-j' correlation and the k-k'-j' correlation. In addition, polarization dependent generalized differential cross-sections were found to be sensitive to the vibrational number. |
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| Keywords: | Vector correlation Polarization dependent differential cross section Vibrational number Quasi-classical trajectory method |
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