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

收藏

页码：3083 / 3094

页数：12

相关论文

共 55 条

[1] ABRAHAM MH, 1974, PROGR PHYS ORG CHEM, V11, P1
[2] Abraham R. J., 1974, INTERNAL ROTATION MO
[3] Amis E. S., 1973, SOLVENT EFFECTS CHEM, V1
[4] [Anonymous], STAT MECH A
[5] Structure of water; A Monte Carlo calculation
Barker, J. A.
Watts, R. O.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (03) : 144 - 145
[6] SAMPLING METHODS FOR MONTE-CARLO SIMULATIONS OF NORMAL-BUTANE IN DILUTE-SOLUTION
BIGOT, B
JORGENSEN, WL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (04) : 1944 - 1952
[7] MOLECULAR-DYNAMICS SIMULATION OF LIQUID CH3F, CHF3, CH3CL, CH3CN, CO2 AND CS2 WITH NEW PAIR POTENTIALS
BOHM, HJ
MEISSNER, C
AHLRICHS, R
[J]. MOLECULAR PHYSICS, 1984, 53 (03) : 651 - 672
[8] A MONTE-CARLO STUDY OF ELECTROSTATIC SOLVATION ENERGIES IN MOLECULAR LIQUIDS
CABRAL, BJC
RINALDI, D
RIVAIL, JL
[J]. CHEMICAL PHYSICS LETTERS, 1982, 93 (02) : 157 - 161
[9] CLEMENTI E, 1983, J PHYS CHEM-US, V87, P281
[10] AN IMPROVED INTERMOLECULAR POTENTIAL FUNCTION FOR SIMULATIONS OF LIQUID-HYDROGEN FLUORIDE
COURNOYER, ME
JORGENSEN, WL
[J]. MOLECULAR PHYSICS, 1984, 51 (01) : 119 - 132

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