Jian-wei Cao, Feng-yi Li, Wen-sha Xia, Wen-sheng Bian. van der Waals Interactions in Bimolecular Reactions[J]. Chinese Journal of Chemical Physics , 2019, 32(2): 157-166. doi: 10.1063/1674-0068/cjcp1901007
Citation: Jian-wei Cao, Feng-yi Li, Wen-sha Xia, Wen-sheng Bian. van der Waals Interactions in Bimolecular Reactions[J]. Chinese Journal of Chemical Physics , 2019, 32(2): 157-166. doi: 10.1063/1674-0068/cjcp1901007

van der Waals Interactions in Bimolecular Reactions

doi: 10.1063/1674-0068/cjcp1901007
Funds:  This work was supported by the National Natural Science Foundation of China (No.21773251 and No.91741106), the Beijing National Laboratory for Molecular Sciences and Chinese Academy of Sciences.
  • Received Date: 2019-01-09
  • 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.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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van der Waals Interactions in Bimolecular Reactions

doi: 10.1063/1674-0068/cjcp1901007
Funds:  This work was supported by the National Natural Science Foundation of China (No.21773251 and No.91741106), the Beijing National Laboratory for Molecular Sciences and Chinese Academy of Sciences.

Abstract: 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.

Jian-wei Cao, Feng-yi Li, Wen-sha Xia, Wen-sheng Bian. van der Waals Interactions in Bimolecular Reactions[J]. Chinese Journal of Chemical Physics , 2019, 32(2): 157-166. doi: 10.1063/1674-0068/cjcp1901007
Citation: Jian-wei Cao, Feng-yi Li, Wen-sha Xia, Wen-sheng Bian. van der Waals Interactions in Bimolecular Reactions[J]. Chinese Journal of Chemical Physics , 2019, 32(2): 157-166. doi: 10.1063/1674-0068/cjcp1901007

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