Use of Nonequilibrium Work Methods to Compute Free Energy Differences Between Molecular Mechanical and Quantum Mechanical Representations of Molecular Systems

Title
Use of Nonequilibrium Work Methods to Compute Free Energy Differences Between Molecular Mechanical and Quantum Mechanical Representations of Molecular Systems
Authors
Keywords
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Journal
Journal of Physical Chemistry Letters
Volume 6, Issue 23, Pages 4850-4856
Publisher
American Chemical Society (ACS)
Online
2015-11-06
DOI
10.1021/acs.jpclett.5b02164

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