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"The SAMPL5 challenge for embedded-cluster integral equation theory: ..."
Nicolas Tielker et al. (2016)
- Nicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart
, Stefan Güssregen, K. Friedemann Schmidt
, Stefan M. Kast
:
The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D. J. Comput. Aided Mol. Des. 30(11): 1035-1044 (2016)
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