Molecular dynamics computer simulations of solvation in hydrogen bonded systems

  • Bopp Insiii, fü r Physikalische Cliemie
  • Published 2006

Abstract

This review first discusses briefly some of he various models used in large scale computer simulations of water and aqueous systems. The radial pair distribution functions describing the structures of the hydration shells of divalent ions, as determined from MD simulations of 1.lm solutions of the chloride salts, are then presented. The ion-water potentials… (More)

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