Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics

Published 2014 View Full Article

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Title
Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 4, Pages 1440-1453
Publisher
American Chemical Society (ACS)
Online
2014-02-06
DOI
10.1021/ct400911m

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