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On the calculation of equilibrium thermodynamic properties from molecular dynamics

Peter V Coveney1, Shunzhou Wan1

  • 1Centre for Computational Science, Department of Chemistry, University College London, London WC1H 0AJ, UK. p.v.coveney@ucl.ac.uk.

Physical Chemistry Chemical Physics : PCCP
|May 12, 2016
PubMed
Abstract

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