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On the calculation of equilibrium thermodynamic properties from molecular dynamics

Corresponding authors
Centre for Computational Science, Department of Chemistry, University College London, London WC1H 0AJ, UK
E-mail: p.v.coveney@ucl.ac.uk
Tel: +44 (0)2076791560
Phys. Chem. Chem. Phys., 2016, Advance Article

DOI: 10.1039/C6CP02349E
Received 08 Apr 2016, Accepted 03 May 2016
First published online 03 May 2016
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

This article is part of themed collection: Insights from advanced methods in molecular dynamics
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