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The SAMPL5 challenge for embedded-cluster integral equation..:
Tielker, Nicolas
;
Tomazic, Daniel
;
Heil, Jochen
...
Journal of Computer-Aided Molecular Design. 30 (2016) 11 - p. 1035-1044 , 2016
Link:
https://doi.org/10.1007/s10822-016-9939-7
RT Journal T1 <Title>The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane–water log D</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1007_s10822-016-9939-7&Exemplar=1&LAN=DE A1 Tielker, Nicolas A1 Tomazic, Daniel A1 Heil, Jochen A1 Kloss, Thomas A1 Ehrhart, Sebastian A1 Güssregen, Stefan A1 Schmidt, K. Friedemann A1 Kast, Stefan M. PB Springer Science and Business Media LLC YR 2016 SN 0920-654X SN 1573-4951 JF Journal of Computer-Aided Molecular Design VO 30 IS 11 SP 1035 OP 1044 LK http://dx.doi.org/https://doi.org/10.1007/s10822-016-9939-7 DO https://doi.org/10.1007/s10822-016-9939-7 SF ELIB - SuUB Bremen
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