CONFORMATIONAL EQUILIBRIUM OF 1,2-DICHLOROETHANE IN METHYLCHLORIDE - A MONTE-CARLO SIMULATION OF THE DIFFERENTIAL GAUCHE-ANTI SOLVATION

被引：40

作者：

BIGOT, B ^{[3
]}

COSTACABRAL, BJ

RIVAIL, JL

机构：

[1] UNIV PARIS 11, F-91405 ORSAY, FRANCE

[2] UNIV NANCY 1, CHIM THEOR LAB, F-54506 NANCY, FRANCE

[3] ECOLE NORMALE SUPER ST CLOUD, CNRS, U510, CHIM THEOR LAB, F-92211 ST CLOUD, FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 06期

关键词：

D O I：

10.1063/1.449213

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：3083 / 3094

页数：12

共 55 条

[31] MONTE-CARLO STUDY OF DIPOLAR HARD SPHERES - PAIR DISTRIBUTION FUNCTION AND DIELECTRIC-CONSTANT [J].

LEVESQUE, D ;

PATEY, GN ;

WEIS, JJ .

MOLECULAR PHYSICS, 1977, 34 (04) :1077-1091

[32] 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

[33]

LINDER B, 1967, ADV CHEM PHYS, V12, P225

[34]

LOWE JP, 1969, PROGR PHYS ORG CHEM, V6, P1

[35]

MARYOTT AA, 1951, NBS51 CIRC

[36]

Mizushima S, 1954, STRUCTURE MOL INTERN

[37] 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

[38] PREFERENTIAL SAMPLING NEAR SOLUTES IN MONTE-CARLO CALCULATIONS ON DILUTE-SOLUTIONS [J].

OWICKI, JC ;

SCHERAGA, HA .

CHEMICAL PHYSICS LETTERS, 1977, 47 (03) :600-602

[39]

OWICKI JC, 1978, ACS SYM SER, V86, P159

[40] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .4. HARTREE-FOCK POTENTIAL FOR WATER DIMER AND ITS APPLICATION TO LIQUID STATE [J].

POPKIE, H ;

KISTENMA.H ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) :1325-1336

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