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A general forcefield for accurate phonon properties of metal–organic frameworks

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Corresponding authors
a
Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath, UK
b
Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, UK
E-mail: a.walsh@imperial.ac.uk
Tel: +44 (0)1225 385432
c
Curtin Institute for Computation, Department of Chemistry, Curtin University, PO Box U1987, Perth, Australia
E-mail: j.gale@curtin.edu.au
Phys. Chem. Chem. Phys., 2016,18, 29316-29329

DOI: 10.1039/C6CP05106E
Received 22 Jul 2016, Accepted 30 Sep 2016
First published online 30 Sep 2016
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Open Access
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