COOPERATIVE EFFECTS IN SIMULATED WATER

被引：341

作者：

BARNES, P

FINNEY, JL

NICHOLAS, JD

QUINN, JE

机构：

[1] Department of Crystallography, Birkbeck College, University of London, London WC1, Malet Street

来源：

NATURE | 1979年 / 282卷 / 5738期

关键词：

D O I：

10.1038/282459a0

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Computer simulation calculations on liquid water, aqueous solutions and biological interfaces have been made almost universally assuming pair-additive interactions. Experimental and theoretical evidence implies this is a serious oversimplification. The development and testing of a different approach is reviewed in which many-body forces are specifically taken into account through molecular polarisation. Solution and interfacial properties of aqueous systems are particularly sensitive to such forces. © 1979 Nature Publishing Group.

引用

页码：459 / 464

页数：6

共 56 条

[1] STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].