A MONTE-CARLO SIMULATION STUDY OF A POLARIZABLE LIQUID - INFLUENCE OF THE ELECTROSTATIC INDUCTION ON ITS THERMODYNAMIC AND STRUCTURAL-PROPERTIES

被引:23
作者
CABRAL, BJC
RIVAIL, JL
BIGOT, B
机构
[1] ECOLE NORMALE SUPER ST CLOUD,CHIM THEOR LAB,F-92211 ST CLOUD,FRANCE
[2] UNIV NANCY 1,CNRS,UA 510,CHIM THEOR LAB,F-54506 VANDOEUVRE NANCY,FRANCE
[3] INST RECH CATALYSE,F-69626 VILLEURBANNE,FRANCE
关键词
D O I
10.1063/1.452236
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
收藏
页码:1467 / 1473
页数:7
相关论文
共 33 条
[1]   STATIC DIELECTRIC-PROPERTIES OF THE STOCKMAYER FLUID FROM COMPUTER-SIMULATION [J].
ADAMS, DJ ;
ADAMS, EM .
MOLECULAR PHYSICS, 1981, 42 (04) :907-926
[2]   SIMULATION OF POLAR AND POLARIZABLE FLUIDS [J].
ALDER, BJ ;
POLLOCK, EL .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :311-329
[3]   CONFORMATIONAL EQUILIBRIUM OF 1,2-DICHLOROETHANE IN METHYLCHLORIDE - A MONTE-CARLO SIMULATION OF THE DIFFERENTIAL GAUCHE-ANTI SOLVATION [J].
BIGOT, B ;
COSTACABRAL, BJ ;
RIVAIL, JL .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) :3083-3094
[4]  
BUCKINGHAM AD, 1978, INTERMOLECULAR INTER, pCH1
[5]   COMPUTER-SIMULATION AND THEORETICAL RESULTS FOR A POLAR-POLARIZABLE FLUID [J].
CAILLOL, JM ;
LEVESQUE, D ;
WEIS, JJ ;
KUSALIK, PG ;
PATEY, GN .
MOLECULAR PHYSICS, 1985, 55 (01) :65-76
[6]   FLUIDS OF POLARIZABLE HARD-SPHERES WITH DIPOLES AND TETRAHEDRAL QUADRUPOLES - INTEGRAL-EQUATION RESULTS WITH APPLICATION TO LIQUID WATER [J].
CARNIE, SL ;
PATEY, GN .
MOLECULAR PHYSICS, 1982, 47 (05) :1129-1151
[7]   AN IMPROVED INTERMOLECULAR POTENTIAL FUNCTION FOR SIMULATIONS OF LIQUID-HYDROGEN FLUORIDE [J].
COURNOYER, ME ;
JORGENSEN, WL .
MOLECULAR PHYSICS, 1984, 51 (01) :119-132
[8]   MNDO CALCULATIONS OF MOLECULAR ELECTRIC POLARIZABILITIES, HYPERPOLARIZABILITIES, AND NON-LINEAR OPTICAL COEFFICIENTS [J].
DEWAR, MJS ;
YAMAGUCHI, Y ;
SUCK, SH .
CHEMICAL PHYSICS LETTERS, 1978, 59 (03) :541-544
[9]  
GALLANT RW, 1968, PHYSICAL PROPERTIES
[10]  
Gray C.G., 1984, Theory of molecular fluids, V2