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Physical Chemistry Chemical Physics

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

Paper

Fragment occupations in partition density functional theory

a
Department of Chemistry, Purdue University, 560 Oval Dr, West Lafayette IN 47907, USA
E-mail: awasser@purdue.edu
b
Department of Physics, Purdue University, 525 Northwestern Av., West Lafayette, IN 47907, USA
Phys. Chem. Chem. Phys., 2012,14, 7780-7786

DOI: 10.1039/C2CP23994A
Received 13 Dec 2011, Accepted 21 Mar 2012
First published online 22 Mar 2012

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