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Physical Chemistry Chemical Physics

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

Paper

Natural orbital Fukui function and application in understanding cycloaddition reaction mechanisms

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Corresponding authors
a
Department of Pharmaceutical Sciences, University of Kentucky, 375 Biopharm Complex, 789 South Limestone Street, Kentucky 40536, USA
E-mail: tonglei@uky.edu
Fax: +1(859) 257-1472
b
Department of Chemistry, McMaster University, Ontario L8S 4M1, Canada
c
Research Computing Center, University of North Carolina, Chapel Hill, North Carolina 27599, USA
Phys. Chem. Chem. Phys., 2012,14, 9890-9896

DOI: 10.1039/C2CP40488E
Received 16 Feb 2012, Accepted 08 May 2012
First published online 08 May 2012
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Supplementary Info