Solvation structures in three dimensions

被引：13

作者：

Svishchev, IM ^{[1
]}

Zassetsky, AY

Kusalik, PG

机构：

[1] Trent Univ, Dept Chem, Peterborough, ON K9J 7B8, Canada

[2] Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada

来源：

CHEMICAL PHYSICS | 2000年 / 258卷 / 2-3期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1016/S0301-0104(00)00166-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 dissolved oxygen molecules in water. (C) 2000 Published by Elsevier Science B.V. All rights reserved.

引用

页码：181 / 186

页数：6

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