OPTIMIZED INTERMOLECULAR POTENTIAL FUNCTIONS FOR LIQUID HYDROCARBONS

被引：2146

作者：

JORGENSEN, WL

MADURA, JD

SWENSON, CJ

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1984年 / 106卷 / 22期

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

页码：6638 / 6646

页数：9

共 49 条

[1]

[Anonymous], 1953, SELECTED VALUES PHYS

[2] EXPERIMENTAL VOLUMETRIC PROPERTIES OF LIQUID NORMAL-ALKANES AND THEIR BINARY-MIXTURES [J].

BLINOWSKA, A ;

BROSTOW, W .

JOURNAL OF CHEMICAL THERMODYNAMICS, 1975, 7 (08) :787-794

[3]

BURKERT U, 1982, MOL MECHANICS

[4] MONTE-CARLO SIMULATION OF LIQUID ETHANE [J].

BYRNES, JM ;

SANDLER, SI .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (02) :881-885

[5] MONTE-CARLO SIMULATIONS OF LIQUID TETRAHYDROFURAN INCLUDING PSEUDOROTATION [J].

CHANDRASEKHAR, J ;

JORGENSEN, WL .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (10) :5073-5079

[6] THE STRUCTURE OF LIQUID BENZENE [J].

CLAESSENS, M ;

FERRARIO, M ;

RYCKAERT, JP .

MOLECULAR PHYSICS, 1983, 50 (01) :217-227

[7] CRYSTAL PACKING, HYDROGEN-BONDING, AND THE EFFECT OF CRYSTAL FORCES ON MOLECULAR-CONFORMATION [J].

DAUBER, P ;

HAGLER, AT .

ACCOUNTS OF CHEMICAL RESEARCH, 1980, 13 (04) :105-112

[8] ENERGY PARAMETERS IN POLYPEPTIDES .8. EMPIRICAL POTENTIAL-ENERGY ALGORITHM FOR CONFORMATIONAL-ANALYSIS OF LARGE MOLECULES [J].

DUNFIELD, LG ;

BURGESS, AW ;

SCHERAGA, HA .

JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (24) :2609-2616

[9] ANALYSIS OF TORSIONAL SPECTRA OF MOLECULES WITH 2 INTERNAL C3V ROTORS .12. LOW-FREQUENCY VIBRATIONAL-SPECTRA, METHYL TORSIONAL POTENTIAL FUNCTION, AND INTERNAL-ROTATION OF NORMAL-BUTANE [J].

DURIG, JR ;

COMPTON, DAC .

JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (02) :265-268

[10] PRESSURE VOLUME TEMPERATURE RELATIONS IN LIQUIDS AND LIQUID MIXTURES .1. THE COMPRESSION OF NORMAL-HEXANE, NORMAL-HEPTANE, NORMAL-OCTANE, AND OF THEIR BINARY AND TERNARY MIXTURES, UP TO 5000 ATMOSPHERES [J].

EDULJEE, HE ;

NEWITT, DM ;

WEALE, KE .

JOURNAL OF THE CHEMICAL SOCIETY, 1951, (NOV) :3086-3091

← 1 2 3 4 5 →