INVESTIGATIONS ON THE CONVERGENCE RATE OF THE THERMODYNAMIC AND STRUCTURAL PARAMETERS FROM MONTE-CARLO SIMULATIONS OF AQUEOUS-SOLUTIONS OF METHANOL AND METHYLAMINE

被引:22
作者
NAGY, PI [1 ]
DUNN, WJ [1 ]
NICHOLAS, JB [1 ]
机构
[1] UNIV ILLINOIS,DEPT MED CHEM & PHARMACOGNOSY,CHICAGO,IL 60680
关键词
D O I
10.1063/1.456852
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:3707 / 3715
页数:9
相关论文
共 55 条
[1]  
ALAGONA G, 1988, MOL PHYSICS CHEM BIO, V2, P507
[2]  
Alagona G., 1989, J MOL STRUC-THEOCHEM, V187, P219
[3]   HEATS OF SOLUTION OF ALCOHOLS IN WATER [J].
ALEXANDER, DM ;
HILL, DJT .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1969, 22 (02) :347-+
[4]  
BACQUET JA, 1988, J PHYS CHEM-US, V92, P7134
[5]  
BASCH PA, 1987, SCIENCE, V235, P574
[6]  
Ben-Naim A., 1974, WATER AQUEOUS SOLUTI
[7]   SOLVATION THERMODYNAMICS OF NONIONIC SOLUTES [J].
BENNAIM, A ;
MARCUS, Y .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) :2016-2027
[8]   STANDARD THERMODYNAMICS OF TRANSFER - USES AND MISUSES [J].
BENNAIM, A .
JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (07) :792-803
[9]   PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].
BERNSTEIN, FC ;
KOETZLE, TF ;
WILLIAMS, GJB ;
MEYER, EF ;
BRICE, MD ;
RODGERS, JR ;
KENNARD, O ;
SHIMANOUCHI, T ;
TASUMI, M .
JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542
[10]   VOLUMETRIC PROPERTIES OF AQUEOUS-SOLUTIONS OF ORGANIC COMPOUNDS .3. ALIPHATIC SECONDARY ALCOHOLS, CYCLIC ALCOHOLS, PRIMARY, SECONDARY, AND TERTIARY-AMINES [J].
CABANI, S ;
CONTI, G ;
LEPORI, L .
JOURNAL OF PHYSICAL CHEMISTRY, 1974, 78 (10) :1030-1034