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首页> 外文期刊>Annual Reports on the Progress of Chemistry, Section C. Physical Chemistry >Coriolis coupling effect in molecular reaction dynamics
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Coriolis coupling effect in molecular reaction dynamics

机译:科里奥利耦合效应在分子反应动力学中的作用

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In this chapter, we introduce the recent advances in exploring and analyzing the role that Coriolis coupling played in molecular collision dynamics. For this purpose, both the CC and the CS calculations that with/without Coriolis couplings are carried out and compared for a series of collision dynamics including nonadiabatic and adiabatic ones. In particular, such investigation under the nonadiabatic collision dynamics has been achieved with our recently developed quantum dynamical methods and codes. We aimed to provide a rather comprehensive and systematic analysis of Coriolis coupling effect on molecular collisions, which can benefit quantum dynamics calculations and our understanding of reaction dynamics.
机译:在本章中,我们介绍了探索和分析科里奥利偶合在分子碰撞动力学中的作用的最新进展。为此,进行了有/没有科里奥利联轴器的CC和CS计算,并比较了一系列碰撞动力学,包括非绝热和绝热运动。特别地,利用我们最近开发的量子动力学方法和代码已经在非绝热碰撞动力学下进行了这种研究。我们旨在提供对分子碰撞的科里奥利偶合效应的相当全面和系统的分析,这可能有益于量子动力学计算和我们对反应动力学的理解。

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