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"Computing converged free energy differences between levels of theory via ..."

Fiona L. Kearns et al. (2017)

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DOI: 10.1002/JCC.24706

access: closed

type: Journal Article

metadata version: 2020-10-26

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Fiona L. Kearns, Phillip S. Hudson, Henry L. Woodcock, Stefan Boresch:
Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities. J. Comput. Chem. 38(16): 1376-1388 (2017)

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