Solvation structures in three dimensions

Extensive efforts are currently devoted to the development of experimental and computer simulation methods which enable one to unambiguously elucidate the three-dimensional coordination structures in disordered systems, such as liquids and amorphous solids. The purpose of this paper is to present a simulation technique to study the spatial structures in molecular liquids. The illustrations include the local structures in liquid water at different temperatures and densities and the hydration structures induced by dissolv ed oxygen molecules in water. (C) 2000 Published by Elsevier Science B.V. A ll rights reserved.