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Physical Chemistry Chemical Physics

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Paper

Electronic forces as descriptors of nucleophilic and electrophilic regioselectivity and stereoselectivity

Shubin Liu,*ab   Chunying Ronga and   Tian Lucd  
*
Corresponding authors
a
Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), Synergetic Innovation Center for Quantum Effects and Applications (SICQEA), College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, China
b
Research Computing Center, University of North Carolina, Chapel Hill, USA
E-mail: shubin@email.unc.edu
c
Beijing Kein Research Center for Natural Sciences, Beijing 100022, P. R. China
d
Beijing Quanton Technology Co. Ltd., Beijing 100024, P. R. China
Phys. Chem. Chem. Phys., 2017,19, 1496-1503

DOI: 10.1039/C6CP06376D
Received 15 Sep 2016, Accepted 06 Dec 2016
First published online 06 Dec 2016
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