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A global coupled cluster potential energy surface for HCl + OH ↔ Cl + H2O

Junxiang Zuo,a   Bin Zhao,b   Hua Guob and   Daiqian Xie*ac  
Corresponding authors
Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China
E-mail: dqxie@nju.edu.cn
Tel: +86-25-89689010
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, USA
Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, China
Phys. Chem. Chem. Phys., 2017, Advance Article

DOI: 10.1039/C7CP00920H
Received 11 Feb 2017, Accepted 10 Mar 2017
First published online 13 Mar 2017
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