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Issue 24, 2017
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Recent advances in quantum scattering calculations on polyatomic bimolecular reactions

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Abstract

This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful because they provide highly accurate information on the dynamics of chemical reactions which can be compared in detail with experimental results. They also serve as quantum mechanical benchmarks for testing approximate theories which can more readily be applied to more complicated reactions. This review includes theories for calculating quantities such as rate constants which have many important scientific applications.

Graphical abstract: Recent advances in quantum scattering calculations on polyatomic bimolecular reactions

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Article information


Submitted
18 Jul 2017
First published
16 Nov 2017

Chem. Soc. Rev., 2017,46, 7625-7649
Article type
Review Article

Recent advances in quantum scattering calculations on polyatomic bimolecular reactions

B. Fu, X. Shan, D. H. Zhang and D. C. Clary, Chem. Soc. Rev., 2017, 46, 7625
DOI: 10.1039/C7CS00526A

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