THE SURFACE-TENSION OF WATER - A MONTE-CARLO CALCULATION USING AN UMBRELLA SAMPLING ALGORITHM

被引:62
作者
LEE, CY
SCOTT, HL
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D O I
10.1063/1.440698
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:4591 / 4596
页数:6
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共 16 条
[1]   EFFICIENT ESTIMATION OF FREE-ENERGY DIFFERENCES FROM MONTE-CARLO DATA [J].
BENNETT, CH .
JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 22 (02) :245-268
[2]  
DEFAY R, 1966, SURFACE TENSION ADSO, P258
[3]  
EISENBERG D, 1969, STRUCTURE PROPERTIES, P190
[4]   THE STATISTICAL MECHANICAL THEORY OF SURFACE TENSION [J].
KIRKWOOD, JG ;
BUFF, FP .
JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (03) :338-343
[5]   SURFACE-STRUCTURE AND SURFACE-TENSION - PERTURBATION-THEORY AND MONTE-CARLO CALCULATION [J].
LEE, JK ;
BARKER, JA ;
POUND, GM .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (05) :1976-1980
[6]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .13. MONTE-CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL [J].
LIE, GC ;
CLEMENTI, E ;
YOSHIMINE, M .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2314-2323
[7]   CL STUDY OF WATER DIMER POTENTIAL SURFACE [J].
MATSUOKA, O ;
CLEMENTI, E ;
YOSHIMINE, M .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1351-1361
[8]   CONVERGENCE CHARACTERISTICS OF MONTE-CARLO-METROPOLIS COMPUTER-SIMULATIONS ON LIQUID WATER [J].
MEZEI, M ;
SWAMINATHAN, S ;
BEVERIDGE, DL .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) :3366-3373
[9]   NEW MONTE-CARLO METHOD FOR CALCULATING SURFACE-TENSION [J].
MIYAZAKI, J ;
BARKER, JA ;
POUND, GM .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (08) :3364-3369
[10]   MONTE-CARLO CALCULATIONS IN ISOTHERMAL-ISOBARIC ENSEMBLE .1. LIQUID WATER [J].
OWICKI, JC ;
SCHERAGA, HA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (23) :7403-7412