The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane–water log D - Concepedia

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The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane–water log D

33

Citations

39

References

2016

Year

Nicolas Tielker, Daniel Tomazic, Jochen Heil, Thomas Kloss, Sebastian Ehrhart, Stefan Güssregen, Friedemann Schmidt, Stefan M. Kast

Journal of Computer-Aided Molecular Design

Cluster ScienceEngineeringNatural SciencesSampl5 ChallengePhysical ChemistryCyclohexane–water Log DComputational ChemistryCluster ChemistryQuantum ChemistryChemistrySolvation Free EnergiesSolution (Chemistry)

References

	Year	Citations

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