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Physical Chemistry Chemical Physics

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Ring-polymer molecular dynamical calculations for the F + HCl → HF + Cl reaction on the ground 12A′ potential energy surface

Mengna Bai,a   Dandan Lu,a   Yongle Li*b and   Jun Li*a  
Corresponding authors
School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China
E-mail: jli15@cqu.edu.edu
Department of Physics, International Center of Quantum and Molecular Structure, and Shanghai Key Laboratory of High Temperature Superconductors, Shanghai University, Shanghai 200444, China
E-mail: yongleli@shu.edu.cn
Phys. Chem. Chem. Phys., 2016,18, 32031-32041

DOI: 10.1039/C6CP03306G
Received 16 May 2016, Accepted 27 Jun 2016
First published online 28 Jun 2016
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