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篇目详细内容 |
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【篇名】 |
Product polarization distribution: Stereodynamics of the reaction of atom H and radical NH |
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【刊名】 |
Frontiers of Physics in China |
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【刊名缩写】 |
Front. Phys. China |
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【ISSN】 |
1673-3487 |
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【EISSN】 |
1673-3606 |
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【DOI】 |
10.1007/s11467-008-0021-3 |
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【出版社】 |
Higher Education Press and Springer-Verlag |
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【出版年】 |
2008 |
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【卷期】 |
3
卷2期 |
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【页码】 |
153-158
页,共
6
页 |
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【作者】 |
LIU Yu-fang;
ZHAI Hong-sheng;
GAO Ya-li;
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【关键词】 |
quasiclassical trajectory; differential cross sections; vector correlation |
【摘要】 |
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The product angular momentum polarization of the reaction of H+NH is calculated via the quasiclassical trajectory method (QCT) based on the extended London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES) at a collision energy of 5.1 kcal/mol. The calculated results of the vector correlations are denoted by using the angular distribution functions. The polarization-dependent differential cross sections (PDDCSs) demonstrate that the rotational angular momentum of the product H2 is aligned and oriented along the direction perpendicular to the scattering plane. Vector correlation shows that the angular momentum of the product H2 is aligned in the plane perpendicular to the velocity vector. It suggests that the reaction proceeds preferentially when the reactant velocity vector lies in a plane containing all three atoms. The orientation and alignment of the product angular momentum affects the scattering direction of the product molecules. The polarization-dependent differential cross sections (PDD-CSs) reveal that scattering is predominantly in the backward hemisphere. |
