Article ID Journal Published Year Pages File Type
5412280 Journal of Molecular Liquids 2012 8 Pages PDF
Abstract
► Interactions between water molecules and ions are of fundamental interest in understanding aqueous solvation systems. ► Systematic approach is to develop a set of potential parameters that describes bulk structures and liquid-vapor interface. ► We performed MD to validate the potentials by reproducing experimental solvation properties and other MD results.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Development of ions-TIP4P-Ew force fields for molecular processes in bulk and at the aqueous interface using molecular simulations
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