EXCESS FREE-ENERGY OF DIFFERENT WATER MODELS COMPUTED BY MONTE-CARLO METHODS

被引：52

作者：

MEZEI, M

机构：

来源：

MOLECULAR PHYSICS | 1982年 / 47卷 / 06期

关键词：

D O I：

10.1080/00268978200100992

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：

引用

页码：1307 / 1315

页数：9

共 30 条

[1]

ADAMS DJ, 1975, MOL PHYS, V29, P311

[2] WHAT IS LIQUID - UNDERSTANDING STATES OF MATTER [J].

BARKER, JA ;

HENDERSON, D .

REVIEWS OF MODERN PHYSICS, 1976, 48 (04) :587-671

[3] EFFICIENT ESTIMATION OF FREE-ENERGY DIFFERENCES FROM MONTE-CARLO DATA [J].

BENNETT, CH .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 22 (02) :245-268

[4]

Berendsen H. J. C., 1981, JERUSALEM S QUANTUM

[5]

BEVERIDGE DL, 1982, ADV CHEM

[6]

Blackman R.B., 1958, MEASUREMENT POWER SP

[7]

BLACKMAN RB, 1965, DATA SMOOTHING PREDI

[8] SOFT-SPHERE EQUATION OF STATE [J].

HOOVER, WG ;

ROSS, M ;

JOHNSON, KW ;

HENDERSO.D ;

BARKER, JA ;

BROWN, BC .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :4931-&

[9] MONTE-CARLO CALCULATION OF THE FREE-ENERGY DIFFERENCE BETWEEN HARD AND SOFT CORE DIATOMIC LIQUIDS [J].

JACUCCI, G ;

QUIRKE, N .

MOLECULAR PHYSICS, 1980, 40 (04) :1005-1009

[10] QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS - APPLICATION TO LIQUID WATER [J].

JORGENSEN, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (02) :335-340

← 1 2 3 →