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

标题
Use of Nonequilibrium Work Methods to Compute Free Energy Differences Between Molecular Mechanical and Quantum Mechanical Representations of Molecular Systems
作者
关键词
-
出版物
Journal of Physical Chemistry Letters
Volume 6, Issue 23, Pages 4850-4856
出版商
American Chemical Society (ACS)
发表日期
2015-11-06
DOI
10.1021/acs.jpclett.5b02164

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