Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions - Mao, Albert H; Pappu, Rohit V (arXiv.org, 2012)
Keywords: Aqueous solutions; Computational fluid dynamics; Computer simulation; Computing time; Crystal lattices; Dependence; Distribution functions; Hydration; Interaction parameters; Mathematical models; Mixing rules; Optimization; Parameterization; Periodic table; Physical simulation; Physics - Chemical Physics; Properties (attributes); Simulation; Solvents; Water distribution; Water engineering