Rate coefficients and kinetic isotope effects of Cl+XCl→XCl+Cl (X=H, D, Mu) reactions from ring polymer molecular dynamics-Reference-Cited by-同舟云学术

Rate coefficients and kinetic isotope effects of Cl+XCl→XCl+Cl (X=H, D, Mu) reactions from ring polymer molecular dynamics

Published:2021-08 Issue:4 Volume:34 Page:453-461
ISSN:1674-0068
Container-title:Chinese Journal of Chemical Physics
language:en
Short-container-title:Chinese Journal of Chemical Physics

Author:

Fang Jun-hua¹,Fan Wen-bin²,Yang Hui²,Song Jia-ning²,Li Yong-le²

Affiliation:

1. Department of Chemistry, Shanghai University, Shanghai 200444, China

2. Department of Physics, International Center for Quantum and Molecular Structures, and Shanghai Key Laboratory of High Temperature Superconductors, Shanghai University, Shanghai 200444, China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry

Link

https://cps.scitation.org/doi/pdf/10.1063/1674-0068/cjcp2007117

Reference51 articles.

1. Variational transition-state theory

2. Quantum Scattering Calculations on Chemical Reactions

3. Quantum dynamics of complex-forming bimolecular reactions

4. Quantum Dynamics of Oxyhydrogen Complex-Forming Reactions for the HO2 and HO3 Systems

5. Quantum corrections for rate constants of diabatic and adiabatic reactions in solutions

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