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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.

Paper

Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective

Zemin Wu,a   Chunying Rong,*ab   Tian Lu,c   Paul W. Ayersb and   Shubin Liu*ad  
*
Corresponding authors
a
Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha Hunan 410081, China
E-mail: chunyingrong@gmail.com, shubin@email.unc.edu
b
Department of Chemistry, McMaster University, Hamilton, Canada L8S 4M1
c
Beijing Kein Research Center for Natural Sciences, Beijing 100022, P. R. China
d
Research Computing Center, University of North Carolina, Chapel Hill, USA
Phys. Chem. Chem. Phys., 2015,17, 27052-27061

DOI: 10.1039/C5CP04442A
Received 28 Jul 2015, Accepted 18 Sep 2015
First published online 21 Sep 2015
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