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van der Waals Interactions in Bimolecular Reactions
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作者 Jian-wei Cao Feng-yi Li +1 位作者 wen-sha xia Wen-sheng Bian 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2019年第2期157-166,I0002,共11页
The van der Waals (vdW) interaction is very important in fields of physics, biology and chemistry, and its role in reaction dynamics is an issue of great interest. In this review, we focus on the recent progresses in ... The van der Waals (vdW) interaction is very important in fields of physics, biology and chemistry, and its role in reaction dynamics is an issue of great interest. In this review, we focus on the recent progresses in the theoretical and experimental studies on the vdW interaction in bimolecular reactions. In particular, we review those studies that have advanced our understanding of how the vdW interaction can strongly influence the dynamics in both direct activated and complex-forming reactions, and further extend the discussion to the polyatomic reactions involving more atoms and those occurring at cold and ultracold temperatures. We indicate that an accurate description of the delicate vdW structure and long-range potential remains a challenge nowadays in either ab initio calculations or the fitting of the potential energy surfaces. We also present an explanation on the concept of vdW saddle proposed by us recently which may have general importance. 展开更多
关键词 van der Waals interaction Complex-forming reactions Reaction mechanisms Ultracold chemical reactions Ab initio potential energy surfaces
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