Computation of methodology-independent single-ion solvation properties from molecular simulations
IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water
Metadata only
Datum
2011-04Typ
- Journal Article
Publikationsstatus
publishedZeitschrift / Serie
The Journal of Chemical PhysicsBand
Seiten / Artikelnummer
Verlag
American Institute of PhysicsThema
boundary-value problems; bromine; caesium; fluorine; free energy; iodine; ion-molecule reactions; Lennard-Jones potential; lithium; potassium; rubidium; sodium; solvation; van der Waals forcesOrganisationseinheit
03304 - Van Gunsteren, Wilfred F. (emeritus)
Anmerkungen
Received 3 May 2010, Accepted 8 December 2010, Published online 8 April 2011.