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中文摘要：
运用准经典轨线方法,基于RODRIGO势能面,对碰撞能为20kcal/mol时,O＋＋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、极化微分反应截面,以及产物转动取向参数进行了详细的讨论.结果表明,O＋＋H2→OH＋＋H,O＋＋DH→OD＋＋H和O＋＋TH→OT＋＋H反应的立体动力学性质对体系的质量因数非常敏感.
英文摘要：
The stereodynamics in the chemical reaction O ＋ ＋ H2and its isotopic variants at a collision energy of 20 kcal/mol are investigated by using the quasi-classical trajectory （QCT） method on RODRIGO surface.The correlated kj′,k-k′-j′ angular distributions,polarization-dependent differential cross sections （PDDCSs） and the product rotational alignment are discussed in detail.The calculations indicate that the stereodynamic properties of the reactions of O ＋ ＋ H2→OH ＋ ＋ H、O ＋ ＋ DH→OD ＋ ＋ H and O ＋ ＋ TH→OT ＋ ＋ H are sensitive to the mass factor and the repulsive energy of diatomic molecule.
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