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Physical Chemistry Chemical Physics

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

Paper

Scaling properties of information-theoretic quantities in density functional reactivity theory

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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
b
Department of Chemistry, McMaster University, Hamilton, Canada
E-mail: ayers@mcmaster.ca
c
Beijing Kein Research Center for Natural Sciences, Beijing 100022, P. R. China
d
Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology, Kharagpur 721302, India
e
Research Computing Center, University of North Carolina, Chapel Hill, USA
E-mail: shubin@email.unc.edu
Phys. Chem. Chem. Phys., 2015,17, 4977-4988

DOI: 10.1039/C4CP05609D
Received 02 Dec 2014, Accepted 08 Jan 2015
First published online 08 Jan 2015
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