| Quasi-classical trajectory investigation on the stereodynamics of Li ＋ DF（v=1-6,j=0）→LiF＋D reaction |
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| 引用本文： | 张莹莹,李淑娟,石英,解廷献,金明星.Quasi-classical trajectory investigation on the stereodynamics of Li ＋ DF（v=1-6,j=0）→LiF＋D reaction[J].中国物理 B,2014(12):147-151. |
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| 作者姓名： | 张莹莹 李淑娟 石英 解廷献 金明星 |
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| 作者单位： | Institute of Atomic and Molecular Physics, Jilin University;Department of Physics, Dalian Jiaotong University |
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| 基金项目： | Project supported by the Fund from the Jilin University,China(Grant No.419080106440);the Chinese National Fusion Project for the International Thermonuclear Experimental Reactor(ITER)(Grant No.2010GB104003);the National Natural Science Foundation of China(Grant No.10974069) |
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| 摘 要： | In this paper, the stereodynamics of Li ＋ DF → Li F ＋ D reaction is investigated by the quasi-classical trajectory（QCT）method on the ^2A＇ potential energy surface（PES） at a relatively low collision energy of 8.76 kcal/mol. The scalar properties of the title reaction such as reaction probability and cross section are studied with vibrational quantum number of v = 1–6. The product angular distributions P（θr） and P（φr） are presented in the same vibrational level range. Moreover, two polarization-dependent generalized differential cross sections（PDDCSs）, i.e., the PDDCS00 and PDDCS22＋are calculated as well. These stereodynamical results demonstrate sensitive behaviors to the vibrational quantum numbers.
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| 关 键 词： | 反应几率 经典轨迹 立体化学 氟化锂 振动量子数 微分截面 碰撞能量 偏振相关 |
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