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中国物理学会期刊

He+H+2及其同位素取代反应的立体动力学研究

CSTR: 32037.14.aps.58.6926

Stereodynamics study of the reactions of He+H+2 and its isotopic variants

CSTR: 32037.14.aps.58.6926
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  • 运用准经典轨线方法,基于AQUILANTI势能面, 在碰撞能为145 kJ/mol时,对He+H+2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++

     

    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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