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OPTIMIZED INTERMOLECULAR POTENTIAL FUNCTIONS FOR LIQUID HYDROCARBONS
被引:2146
作者
:
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
MADURA, JD
论文数:
0
引用数:
0
h-index:
0
MADURA, JD
SWENSON, CJ
论文数:
0
引用数:
0
h-index:
0
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
[11]
STRUCTURE OF LIQUID BENZENE
[J].
EVANS, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH PHYS SCI,CANBERRA,AUSTRALIA
EVANS, DJ
;
WATTS, RO
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH PHYS SCI,CANBERRA,AUSTRALIA
WATTS, RO
.
MOLECULAR PHYSICS,
1976,
32
(01)
:93
-100
[12]
SIDE-CHAIN TORSIONAL POTENTIALS - EFFECT OF DIPEPTIDE, PROTEIN, AND SOLVENT ENVIRONMENT
[J].
GELIN, BR
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
GELIN, BR
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
BIOCHEMISTRY,
1979,
18
(07)
:1256
-1268
[13]
X-RAY-DIFFRACTION STUDY AND MODELS OF LIQUID METHANE AT 92-K
[J].
HABENSCHUSS, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV DELAWARE,DEPT CHEM ENGN,NEWARK,DE 19711
HABENSCHUSS, A
;
JOHNSON, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV DELAWARE,DEPT CHEM ENGN,NEWARK,DE 19711
JOHNSON, E
;
NARTEN, AH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV DELAWARE,DEPT CHEM ENGN,NEWARK,DE 19711
NARTEN, AH
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(09)
:5234
-5241
[14]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS - APPLICATION TO LIQUID WATER
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
:335
-340
[15]
JORGENSEN WL, 1982, CHEM PHYS LETT, V92, P405, DOI 10.1016/0009-2614(82)83437-4
[16]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .11. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS - APPLICATION TO LIQUID METHANOL INCLUDING INTERNAL-ROTATION
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
:341
-345
[17]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .29. MONTE-CARLO SIMULATION OF N-BUTANE IN WATER - CONFORMATIONAL EVIDENCE FOR THE HYDROPHOBIC EFFECT
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(11)
:5757
-5765
[18]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .12. SIMULATION OF LIQUID ETHANOL INCLUDING INTERNAL-ROTATION
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
:345
-350
[19]
STRUCTURES AND PROPERTIES OF ORGANIC LIQUIDS - N-BUTANE AND 1,2-DICHLOROETHANE AND THEIR CONFORMATIONAL EQUILIBRIA
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
;
BINNING, RC
论文数:
0
引用数:
0
h-index:
0
BINNING, RC
;
BIGOT, B
论文数:
0
引用数:
0
h-index:
0
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
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
JORGENSEN, WL
;
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
CHANDRASEKHAR, J
;
MADURA, JD
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
MADURA, JD
;
IMPEY, RW
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
IMPEY, RW
;
KLEIN, ML
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
KLEIN, ML
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(02)
:926
-935
←
1
2
3
4
5
→
共 49 条
[11]
STRUCTURE OF LIQUID BENZENE
[J].
EVANS, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH PHYS SCI,CANBERRA,AUSTRALIA
EVANS, DJ
;
WATTS, RO
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH PHYS SCI,CANBERRA,AUSTRALIA
WATTS, RO
.
MOLECULAR PHYSICS,
1976,
32
(01)
:93
-100
[12]
SIDE-CHAIN TORSIONAL POTENTIALS - EFFECT OF DIPEPTIDE, PROTEIN, AND SOLVENT ENVIRONMENT
[J].
GELIN, BR
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
GELIN, BR
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
KARPLUS, M
.
BIOCHEMISTRY,
1979,
18
(07)
:1256
-1268
[13]
X-RAY-DIFFRACTION STUDY AND MODELS OF LIQUID METHANE AT 92-K
[J].
HABENSCHUSS, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV DELAWARE,DEPT CHEM ENGN,NEWARK,DE 19711
HABENSCHUSS, A
;
JOHNSON, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV DELAWARE,DEPT CHEM ENGN,NEWARK,DE 19711
JOHNSON, E
;
NARTEN, AH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV DELAWARE,DEPT CHEM ENGN,NEWARK,DE 19711
NARTEN, AH
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(09)
:5234
-5241
[14]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS - APPLICATION TO LIQUID WATER
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
:335
-340
[15]
JORGENSEN WL, 1982, CHEM PHYS LETT, V92, P405, DOI 10.1016/0009-2614(82)83437-4
[16]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .11. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS - APPLICATION TO LIQUID METHANOL INCLUDING INTERNAL-ROTATION
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
:341
-345
[17]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .29. MONTE-CARLO SIMULATION OF N-BUTANE IN WATER - CONFORMATIONAL EVIDENCE FOR THE HYDROPHOBIC EFFECT
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(11)
:5757
-5765
[18]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .12. SIMULATION OF LIQUID ETHANOL INCLUDING INTERNAL-ROTATION
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
:345
-350
[19]
STRUCTURES AND PROPERTIES OF ORGANIC LIQUIDS - N-BUTANE AND 1,2-DICHLOROETHANE AND THEIR CONFORMATIONAL EQUILIBRIA
[J].
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
;
BINNING, RC
论文数:
0
引用数:
0
h-index:
0
BINNING, RC
;
BIGOT, B
论文数:
0
引用数:
0
h-index:
0
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
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
JORGENSEN, WL
;
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
CHANDRASEKHAR, J
;
MADURA, JD
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
MADURA, JD
;
IMPEY, RW
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
IMPEY, RW
;
KLEIN, ML
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
KLEIN, ML
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(02)
:926
-935
←
1
2
3
4
5
→