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"Computing converged free energy differences between levels of theory via ..."
Fiona L. Kearns et al. (2017)
- 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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