CALCULATION OF THE SOLVENT CONTRIBUTION TO THE POTENTIAL OF MEAN FORCE BETWEEN WATER-MOLECULES IN FIXED RELATIVE ORIENTATION IN LIQUID WATER

被引：40

作者：

MEZEI, M

BENNAIM, A

机构：

[1] CUNY HUNTER COLL,CTR STUDY GENE STRUCT & FUNCT,NEW YORK,NY 10021

[2] CUNY,GRAD CTR,NEW YORK,NY 10021

[3] HEBREW UNIV JERUSALEM,DEPT PHYS CHEM,IL-91904 JERUSALEM,ISRAEL

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 92卷 / 02期

关键词：

D O I：

10.1063/1.458146

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：

The contribution of the solvent molecules to the potentials of mean force between two water molecules in selected fixed relative orientations was calculated as a function of the interoxygen distance using the probability ratio method with adaptive umbrella sampling in Monte Carlo computer simulations. © 1990 American Institute of Physics.

引用

页码：1359 / 1361

页数：3

共 21 条

[1]

Ben-Naim A., 1974, WATER AQUEOUS SOLUTI

[2] SOLVENT-INDUCED INTERACTIONS - HYDROPHOBIC AND HYDROPHILIC PHENOMENA [J].