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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Absolute free-energy calculations of liquids using a harmonic reference state

Michael D Tyka1, Richard B Sessions, Anthony R Clarke

  • 1Department of Biochemistry, School of Medical Sciences, University of Bristol, Bristol BS8 1TD, UK. mtyka@u.washington.edu

The Journal of Physical Chemistry. B
|July 28, 2007
PubMed

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