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Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte

Harold W Hatch1, Sally Jiao2, Nathan A Mahynski1

  • 1Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, USA.

The Journal of Chemical Physics
|December 24, 2017
PubMed
Abstract

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