A METHOD FOR OBTAINING ABSOLUTE POTENTIALS OF MEAN FORCE AT INFINITE DILUTION FOR NON-ELECTROLYTE SOLUTES FROM MONTE-CARLO SIMULATIONS

被引:10
作者
GOLDMAN, S
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D O I
10.1063/1.440901
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:5851 / 5856
页数:6
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共 23 条
[1]  
Arfken G., 1970, MATH METHODS PHYS
[2]   COOPERATIVE EFFECTS IN SIMULATED WATER [J].
BARNES, P ;
FINNEY, JL ;
NICHOLAS, JD ;
QUINN, JE .
NATURE, 1979, 282 (5738) :459-464
[3]   MONTE-CARLO STUDY OF THERMODYNAMICS OF ELECTROLYTE SOLUTIONS [J].
CARD, DN ;
VALLEAU, JP .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) :6232-&
[4]  
DORSEY NE, 1940, ACS18 AM CHEM SOC MO
[5]   STRUCTURE OF WATER DIMER FROM MOLECULAR-BEAM ELECTRIC RESONANCE SPECTROSCOPY [J].
DYKE, TR ;
MACK, KM ;
MUENTER, JS .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (02) :498-510
[6]  
FLYTZANISTEPHAN.M, 1975, THERMODYNAMIC PROPER, P106
[7]   MOLECULAR-DYNAMICS STUDY OF THE HYDRATION OF LENNARD-JONES SOLUTES [J].
GEIGER, A ;
RAHMAN, A ;
STILLINGER, FH .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01) :263-276
[8]   MONTE-CARLO SIMULATION OF MOLECULAR FLUIDS ON A MINICOMPUTER [J].
HAILE, JM ;
LITCHINSKY, D ;
MCPHERSON, R ;
GRAY, CG ;
GUBBINS, KE .
JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 21 (02) :227-237
[9]  
Hill T. L., 1960, INTRO STAT THERMODYN, P313
[10]   RADIAL-DISTRIBUTION FUNCTION IN FLUID MIXTURES - CONFORMAL SOLUTION THEORY AND MOLECULAR-DYNAMICS RESULTS [J].
MO, KC ;
GUBBINS, KE ;
JACUCCI, G ;
MCDONALD, IR .
MOLECULAR PHYSICS, 1974, 27 (05) :1173-1183