title: Salting-out effects by pressure-corrected 3D-RISM.
abstract: We demonstrate that using a pressure corrected three-dimensional reference interaction site model one can accurately predict salting-out (Setschenow's) constants for a wide range of organic compounds in aqueous solutions of NaCl. The approach, based on classical molecular force fields, offers an alternative to more heavily parametrized methods.
authors.affiliation: Department of Physics, SUPA, University of Strathclyde, 107 Rottenrow, Glasgow G4 0NG, United Kingdom.
authors.forename: Maksim
authors.initials: M
authors.lastname: Misin
authors.affiliation: Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, United Kingdom.
authors.forename: Petteri A
authors.initials: PA
authors.lastname: Vainikka
authors.affiliation: Department of Physics, SUPA, University of Strathclyde, 107 Rottenrow, Glasgow G4 0NG, United Kingdom.
authors.forename: Maxim V
authors.initials: MV
authors.lastname: Fedorov
authors.affiliation: Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, United Kingdom.
authors.forename: David S
authors.initials: DS
authors.lastname: Palmer