Structure and thermodynamics of nonaqueous solvation by integral equation theory. - Roland Frach; Jochen Heil; Stefan M. Kast (J. Cheminformatics, 2012)

Non-continuum solvation using the EC-RISM method applied to predict tautomer ratios, pKa and enantiomeric excess of alkylation reactions. - Jochen Heil; Roland Frach; Stefan M. Kast (J. Cheminformatics, 2012)