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Physical Chemistry Chemical Physics

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


Improving density functional theory for crystal polymorph energetics

Corresponding authors
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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