OPTIMIZED INTERMOLECULAR POTENTIAL FUNCTIONS FOR LIQUID HYDROCARBONS

被引：2099

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

收藏

页码：6638 / 6646

页数：9

相关论文

共 49 条

[1] [Anonymous], 1953, SELECTED VALUES PHYS
[2] EXPERIMENTAL VOLUMETRIC PROPERTIES OF LIQUID NORMAL-ALKANES AND THEIR BINARY-MIXTURES
BLINOWSKA, A
BROSTOW, W
[J]. JOURNAL OF CHEMICAL THERMODYNAMICS, 1975, 7 (08) : 787 - 794
[3] BURKERT U, 1982, MOL MECHANICS
[4] MONTE-CARLO SIMULATION OF LIQUID ETHANE
BYRNES, JM
SANDLER, SI
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (02) : 881 - 885
[5] MONTE-CARLO SIMULATIONS OF LIQUID TETRAHYDROFURAN INCLUDING PSEUDOROTATION
CHANDRASEKHAR, J
JORGENSEN, WL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (10) : 5073 - 5079
[6] THE STRUCTURE OF LIQUID BENZENE
CLAESSENS, M
FERRARIO, M
RYCKAERT, JP
[J]. MOLECULAR PHYSICS, 1983, 50 (01) : 217 - 227
[7] CRYSTAL PACKING, HYDROGEN-BONDING, AND THE EFFECT OF CRYSTAL FORCES ON MOLECULAR-CONFORMATION
DAUBER, P
HAGLER, AT
[J]. 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
DUNFIELD, LG
BURGESS, AW
SCHERAGA, HA
[J]. 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
DURIG, JR
COMPTON, DAC
[J]. 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
EDULJEE, HE
NEWITT, DM
WEALE, KE
[J]. JOURNAL OF THE CHEMICAL SOCIETY, 1951, (NOV): : 3086 - 3091

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