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中文摘要：
运用准经典轨线方法,基于AQUILANTI势能面,在碰撞能为145kJ/mol时,对He＋H2＋及其同位素取代反应的立体动力学性质进行了理论研究.对k-j′两矢量相关和k-k′-j′三矢量相关的分布函数,以及产物转动取向参数进行了详细的讨论.结果表明,He＋HH＋→HeH＋＋H,He＋HD＋→HeH＋＋D和He＋HT＋→HeH＋＋T反应的立体动力学性质对反应体系的质量因子和双原子分子的排斥能非常敏感.
英文摘要：
The stereodynamics in the chemical reaction He＋H＋_2 and its isotopic variants at the collision energy of 145 kJ/mol have been studied by using the quasi-classical trajectory（QCT）method on AQUILANTI surface.The correlated k-j ,k-k -j angular distributions,and the product rotational alignment are discussed in detail.The calculations indicate that the stereodynamics of the reactions of He＋HH＋→HeH＋＋H,He＋HD＋→HeH＋＋D and He＋HT＋→HeH＋＋T are sensitive to the mass factor and the repulsive energy of diatomic molecule.
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