| Influence of the reagent vibration on the stereo-dynamics of the reactions D^- ＋ H2 and H^- ＋ D2 |
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| 作者姓名： | 陈肖琼 王美山 杨传路 吴继成 |
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| 作者单位： | School of Physics, Key Laboratory of Atomic and Molecular Physics of Shandong Province, Ludong University, Yantai 264025, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China （Grant No. 11074103） and the Discipline Construction and of Ludong University, China.Acknowledgment All calculations for the present study were carried out at Shuguang 4000A Computer Center of Ludong University. The authors also appreciate Prof. Han Ke-Li for providing the QCT code of stereodynamics. |
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| 摘 要： | Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J.Chem.Phys.121 9343],the effect of the reagent vibration on vector correlation of the ion-molecule reactions D～-+H2 and H～-+D2 is studied at a collision energy of 35.7 kcal/mol.Four generalized polarization-dependent differential cross sections （2π/σ）（dσ 00 /dωt）,（2π/σ）（dσ 20 /dωt）,（2π/σ）（dσ 22+ /dωt）,and （2π/σ）（dσ 21 /dωt） are presented in the centre-of-mass reference frame,separately.At the same time,the effects on the product angular distributions P （θr）,P （φr） and P （θr,φr） of the title reactions are also analysed.The calculated results show that the scattering tendencies of the product HD,the alignment and the orientation of j sensitively depend on reagent molecule vibration.
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| 关 键 词： | quasi-classical trajectory generalized polarization dependent differential cross sections stereodynamics vector correlation |
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