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Physical Chemistry Chemical Physics

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

Paper

Improving density functional theory for crystal polymorph energetics

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Corresponding authors
a
Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, UK
E-mail: fred.manby@bris.ac.uk
Phys. Chem. Chem. Phys., 2012,14, 7739-7743

DOI: 10.1039/C2CP24090D
Received 22 Dec 2011, Accepted 14 Feb 2012
First published online 15 Feb 2012

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