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Physical Chemistry Chemical Physics

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


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

Corresponding authors
Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath, UK
Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, UK
E-mail: a.walsh@imperial.ac.uk
Tel: +44 (0)1225 385432
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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