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Bibliographic Citation
  • Marsalek Ondrej, Chen Pei-Yang, Dupuis Romain, Benoit Magali, Meheut Merlin, Bačić Zlatko, Tuckerman Mark. Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics. Journal of Chemical Theory and Computation, American Chemical Society, 2014, 10 (4), pp.1440-1453. ⟨10.1021/ct400911m⟩
dc:date
  • 2014
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