MONTE-CARLO STUDY OF 2 IONS IN A STOCKMAYER SOLVENT

被引：9

作者：

ADAMS, DJ ^{[1
]}

RASAIAH, JC ^{[1
]}

机构：

[1] UNIV MAINE, DEPT CHEM, ORONO, ME 04473 USA

来源：

FARADAY DISCUSSIONS | 1977年 / 64卷

关键词：

D O I：

10.1039/dc9776400022

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：22 / 32

页数：11

共 13 条

[1] THERMODYNAMIC AND DIELECTRIC PROPERTIES OF POLAR LATTICES [J].

ADAMS, DJ ;

MCDONALD, IR .

MOLECULAR PHYSICS, 1976, 32 (04) :931-947

[2] MONTE-CARLO STUDIES OF DIELECTRIC PROPERTIES OF WATER-LIKE MODELS [J].

BARKER, JA ;

WATTS, RO .

MOLECULAR PHYSICS, 1973, 26 (03) :789-792

[3] 2ND VIRIAL COEFFICIENTS FOR THE STOCKMAYER POTENTIAL [J].

BARKER, JA ;

SMITH, F .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1960, 13 (01) :171-175

[4]

Friedman H.L., 1962, IONIC SOLUTION THEOR

[5] IMAGE APPROXIMATION TO REACTION FIELD [J].

FRIEDMAN, HL .

MOLECULAR PHYSICS, 1975, 29 (05) :1533-1543

[6] The calculation of electrostatic potential and the energy of dipolar and quadrupole grids [J].

Kornfeld, H .

ZEITSCHRIFT FUR PHYSIK, 1924, 22 :27-43

[7] MONTE-CARLO SIMULATION OF AVERAGE FORCE BETWEEN 2 IONS IN A STOCKMAYER SOLVENT [J].

MCDONALD, IR ;

RASAIAH, JC .

CHEMICAL PHYSICS LETTERS, 1975, 34 (02) :382-386

[8] EXAMINATION OF ADEQUACY OF 12-6-POTENTIAL FOR LIQUID ARGON BY MEANS OF MONTE CARLO CALCULATIONS [J].

MCDONALD, IR ;

SINGER, K .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2308-&

[9] MONTE-CARLO METHOD FOR OBTAINING INTERIONIC POTENTIAL OF MEAN FORCE IN IONIC SOLUTION [J].

PATEY, GN ;

VALLEAU, JP .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) :2334-2339

[10] 3 ATOM CORRELATIONS IN LENNARD-JONES FLUID [J].

RAVECHE, HJ ;

STREETT, WB ;

MOUNTAIN, RD .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4999-&

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