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Reactive Scattering and Resonance

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Molecular Quantum Dynamics

Part of the book series: Physical Chemistry in Action ((PCIA))

Abstract

In this chapter, recent developments of the quantum wave packet methods for calculating differential cross sections (DCSs) of tetra-atomic reaction, for calculating DCSs of triatomic reaction using wave packet method only with reactant Jacobi coordinates, for calculating and analyzing the reactive resonance wave functions, and for simulating and explaining experimental observables of a reactive scattering, are given. Applications to the F + H2 reaction, especially some fundamental understandings of its short-lived reactive resonances, the H + O2 reaction, the H2 + OH → H + H2O reaction, and the OH + CO → H + CO2 reaction are presented for illustration.

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Acknowledgments

We acknowledge X.M. Yang (DICP), H. Guo (UNM), D.Q. Xie (NJU), M. Alexander (UM), Soo-Y. Lee for helpful discussion and cooperated work. Funding supports from Chinese Academy of Sciences and NSFS (Grant No. 21222308, 21103187, 21133006) are acknowledged.

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Authors and Affiliations

  1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China

    Zhigang Sun, Bin Zhao, Shu Liu & Dong-H. Zhang

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  1. Zhigang Sun
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  2. Bin Zhao
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  3. Shu Liu
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  4. Dong-H. Zhang
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Correspondence to Zhigang Sun or Dong-H. Zhang .

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  1. Institut Charles GERHARDT - CNRS 5253, Université Montpellier 2, Montpellier Cedex, France

    Fabien Gatti

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Sun, Z., Zhao, B., Liu, S., Zhang, DH. (2014). Reactive Scattering and Resonance. In: Gatti, F. (eds) Molecular Quantum Dynamics. Physical Chemistry in Action. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-45290-1_4

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