Effect of Reagent Vibrational and Rotational Excitation on the F+H2 Reaction: Theoretical Study of the Stereodynamics Using Quasi-Classical Trajectory Method |
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引用本文: | 王平.Effect of Reagent Vibrational and Rotational Excitation on the F+H2 Reaction: Theoretical Study of the Stereodynamics Using Quasi-Classical Trajectory Method[J].中国物理快报,2010(8):80-83. |
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作者姓名: | 王平 |
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作者单位: | Department of Electronic Engineering, Jinan Vocational College, Jinan 250103 |
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摘 要: | The vector correlations in the reaction F+H2 (v =0-3, j =0-3)→ HF(v', j')+H are investigated using the quasi- classical trajectory method on the Stark-Werner potential energy surface at a collision energy of 1.0eV. The potential distribution P(θr) to angles between k and j', the distribution P(Фr) to dihedral angles, denoting k - k' - j' correlation and the polarization-dependent generalized differential cross sections, are calculated. The effect of reagent vibrational and rotational excitation on the F+H2 reaction is discussed in detail The results suggest that the different vibrational and rotational quantum states of H2 have different influences on the product polarization.
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关 键 词: | 转动激发 线方法 振动 反应 H2 试剂 作者 碰撞能量 |
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