OPTIMIZED INTERMOLECULAR POTENTIAL FUNCTIONS FOR LIQUID HYDROCARBONS

被引:2146
作者
JORGENSEN, WL
MADURA, JD
SWENSON, CJ
机构
关键词
D O I
10.1021/ja00334a030
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:6638 / 6646
页数:9
相关论文
共 49 条
[11]   STRUCTURE OF LIQUID BENZENE [J].
EVANS, DJ ;
WATTS, RO .
MOLECULAR PHYSICS, 1976, 32 (01) :93-100
[12]   SIDE-CHAIN TORSIONAL POTENTIALS - EFFECT OF DIPEPTIDE, PROTEIN, AND SOLVENT ENVIRONMENT [J].
GELIN, BR ;
KARPLUS, M .
BIOCHEMISTRY, 1979, 18 (07) :1256-1268
[13]   X-RAY-DIFFRACTION STUDY AND MODELS OF LIQUID METHANE AT 92-K [J].
HABENSCHUSS, A ;
JOHNSON, E ;
NARTEN, AH .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (09) :5234-5241
[15]  
JORGENSEN WL, 1982, CHEM PHYS LETT, V92, P405, DOI 10.1016/0009-2614(82)83437-4
[19]   STRUCTURES AND PROPERTIES OF ORGANIC LIQUIDS - N-BUTANE AND 1,2-DICHLOROETHANE AND THEIR CONFORMATIONAL EQUILIBRIA [J].
JORGENSEN, WL ;
BINNING, RC ;
BIGOT, B .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (15) :4393-4399
[20]   COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER [J].
JORGENSEN, WL ;
CHANDRASEKHAR, J ;
MADURA, JD ;
IMPEY, RW ;
KLEIN, ML .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) :926-935