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Alchemical Variations of Intermolecular Energies According to Molecular Grand-Canonical Ensemble Density Functional

O Anatole von Lilienfeld1, M E Tuckerman1

  • 1Department of Chemistry, New York University, New York, New York 10003, and Courant Institute of Mathematical Sciences, New York University, New York 10003.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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