机译:A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl-, and SO42-in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions
Univ Complutense Madrid;
MOLECULAR-DYNAMICS SIMULATIONS; NONADDITIVE INTERMOLECULAR POTENTIALS; LINEAR CONSTRAINT SOLVER; SODIUM-CHLORIDE; FREE-ENERGY; VOLUMETRIC PROPERTIES; BIOMOLECULAR SIMULATIONS; THERMODYNAMIC PROPERTIES; INTERATOMIC POTENTIALS; DIELECTRIC-PROPERTIES;