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

被引:52
作者
MEZEI, M
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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 ;
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页码:1307 / 1315
页数:9
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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