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STRUCTURAL AND ENERGETIC EFFECTS OF TRUNCATING LONG RANGED INTERACTIONS IN IONIC AND POLAR FLUIDS
被引:291
作者
:
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
BROOKS, CL
[
1
]
PETTITT, BM
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
PETTITT, BM
[
1
]
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
KARPLUS, M
[
1
]
机构
:
[1]
HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1985年
/ 83卷
/ 11期
关键词
:
D O I
:
10.1063/1.449621
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:5897 / 5908
页数:12
相关论文
共 41 条
[21]
MONTE-CARLO STUDY OF DIPOLAR HARD SPHERES - PAIR DISTRIBUTION FUNCTION AND DIELECTRIC-CONSTANT
[J].
LEVESQUE, D
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0
引用数:
0
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UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
LEVESQUE, D
;
PATEY, GN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
PATEY, GN
;
WEIS, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
WEIS, JJ
.
MOLECULAR PHYSICS,
1977,
34
(04)
:1077
-1091
[22]
THEORY OF INTERMOLECULAR PAIR CORRELATIONS FOR MOLECULAR LIQUIDS - APPLICATIONS TO LIQUIDS CARBON-TETRACHLORIDE, CARBON-DISULFIDE, CARBON DISELENIDE, AND BENZENE
[J].
LOWDEN, LJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
LOWDEN, LJ
;
CHANDLER, D
论文数:
0
引用数:
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h-index:
0
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UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
CHANDLER, D
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(12)
:5228
-5241
[23]
LIQUID WATER - MOLECULAR CORRELATION FUNCTIONS FROM X-RAY DIFFRACTION
[J].
NARTEN, AH
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0
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0
h-index:
0
NARTEN, AH
;
LEVY, HA
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0
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0
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LEVY, HA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(05)
:2263
-+
[24]
CONSISTENT CALCULATION OF THE STATIC AND FREQUENCY-DEPENDENT DIELECTRIC-CONSTANT IN COMPUTER-SIMULATIONS
[J].
NEUMANN, M
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV,INST THEORET CHEM,A-1090 VIENNA,AUSTRIA
NEUMANN, M
;
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STEINHAUSER, O
;
PAWLEY, GS
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0
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0
机构:
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PAWLEY, GS
.
MOLECULAR PHYSICS,
1984,
52
(01)
:97
-113
[25]
EQUATION OF STATE FOR THE LENNARD-JONES FLUID
[J].
NICOLAS, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
NICOLAS, JJ
;
GUBBINS, KE
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0
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机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
GUBBINS, KE
;
STREETT, WB
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0
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机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
STREETT, WB
;
TILDESLEY, DJ
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引用数:
0
h-index:
0
机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
TILDESLEY, DJ
.
MOLECULAR PHYSICS,
1979,
37
(05)
:1429
-1454
[26]
ORNSTEIN LS, 1964, THEORY CLASSICAL FLU
[27]
A MONTE-CARLO STUDY OF STRUCTURAL AND THERMODYNAMIC PROPERTIES OF WATER - DEPENDENCE ON THE SYSTEM SIZE AND ON THE BOUNDARY-CONDITIONS
[J].
PANGALI, C
论文数:
0
引用数:
0
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0
PANGALI, C
;
RAO, M
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0
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0
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RAO, M
;
BERNE, BJ
论文数:
0
引用数:
0
h-index:
0
BERNE, BJ
.
MOLECULAR PHYSICS,
1980,
40
(03)
:661
-680
[28]
INTEGRAL-EQUATION THEORY FOR DENSE DIPOLAR HARD-SPHERE FLUID
[J].
PATEY, GN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,PHYS THEORIQUE & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEORIQUE & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
PATEY, GN
.
MOLECULAR PHYSICS,
1977,
34
(02)
:427
-440
[29]
INTEGRAL-EQUATION PREDICTIONS OF LIQUID-STATE STRUCTURE FOR WATERLIKE INTERMOLECULAR POTENTIALS
[J].
PETTITT, BM
论文数:
0
引用数:
0
h-index:
0
PETTITT, BM
;
ROSSKY, PJ
论文数:
0
引用数:
0
h-index:
0
ROSSKY, PJ
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(03)
:1451
-1457
[30]
EFFECTS OF PERIODIC BOUNDARY-CONDITIONS ON EQUILIBRIUM PROPERTIES OF COMPUTER-SIMULATED FLUIDS .1. THEORY
[J].
PRATT, LR
论文数:
0
引用数:
0
h-index:
0
PRATT, LR
;
HAAN, SW
论文数:
0
引用数:
0
h-index:
0
HAAN, SW
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(03)
:1864
-1872
←
1
2
3
4
5
→
共 41 条
[21]
MONTE-CARLO STUDY OF DIPOLAR HARD SPHERES - PAIR DISTRIBUTION FUNCTION AND DIELECTRIC-CONSTANT
[J].
LEVESQUE, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
LEVESQUE, D
;
PATEY, GN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
PATEY, GN
;
WEIS, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
WEIS, JJ
.
MOLECULAR PHYSICS,
1977,
34
(04)
:1077
-1091
[22]
THEORY OF INTERMOLECULAR PAIR CORRELATIONS FOR MOLECULAR LIQUIDS - APPLICATIONS TO LIQUIDS CARBON-TETRACHLORIDE, CARBON-DISULFIDE, CARBON DISELENIDE, AND BENZENE
[J].
LOWDEN, LJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
LOWDEN, LJ
;
CHANDLER, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
UNIV ILLINOIS, SCH CHEM SCI, URBANA, IL 61801 USA
CHANDLER, D
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(12)
:5228
-5241
[23]
LIQUID WATER - MOLECULAR CORRELATION FUNCTIONS FROM X-RAY DIFFRACTION
[J].
NARTEN, AH
论文数:
0
引用数:
0
h-index:
0
NARTEN, AH
;
LEVY, HA
论文数:
0
引用数:
0
h-index:
0
LEVY, HA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(05)
:2263
-+
[24]
CONSISTENT CALCULATION OF THE STATIC AND FREQUENCY-DEPENDENT DIELECTRIC-CONSTANT IN COMPUTER-SIMULATIONS
[J].
NEUMANN, M
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV,INST THEORET CHEM,A-1090 VIENNA,AUSTRIA
NEUMANN, M
;
论文数:
引用数:
h-index:
机构:
STEINHAUSER, O
;
PAWLEY, GS
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV,INST THEORET CHEM,A-1090 VIENNA,AUSTRIA
PAWLEY, GS
.
MOLECULAR PHYSICS,
1984,
52
(01)
:97
-113
[25]
EQUATION OF STATE FOR THE LENNARD-JONES FLUID
[J].
NICOLAS, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
NICOLAS, JJ
;
GUBBINS, KE
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
GUBBINS, KE
;
STREETT, WB
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
STREETT, WB
;
TILDESLEY, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
School of Chemical Engineering, Cornell University, Ithaca, NY
TILDESLEY, DJ
.
MOLECULAR PHYSICS,
1979,
37
(05)
:1429
-1454
[26]
ORNSTEIN LS, 1964, THEORY CLASSICAL FLU
[27]
A MONTE-CARLO STUDY OF STRUCTURAL AND THERMODYNAMIC PROPERTIES OF WATER - DEPENDENCE ON THE SYSTEM SIZE AND ON THE BOUNDARY-CONDITIONS
[J].
PANGALI, C
论文数:
0
引用数:
0
h-index:
0
PANGALI, C
;
RAO, M
论文数:
0
引用数:
0
h-index:
0
RAO, M
;
BERNE, BJ
论文数:
0
引用数:
0
h-index:
0
BERNE, BJ
.
MOLECULAR PHYSICS,
1980,
40
(03)
:661
-680
[28]
INTEGRAL-EQUATION THEORY FOR DENSE DIPOLAR HARD-SPHERE FLUID
[J].
PATEY, GN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11,CNRS,PHYS THEORIQUE & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
UNIV PARIS 11,CNRS,PHYS THEORIQUE & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
PATEY, GN
.
MOLECULAR PHYSICS,
1977,
34
(02)
:427
-440
[29]
INTEGRAL-EQUATION PREDICTIONS OF LIQUID-STATE STRUCTURE FOR WATERLIKE INTERMOLECULAR POTENTIALS
[J].
PETTITT, BM
论文数:
0
引用数:
0
h-index:
0
PETTITT, BM
;
ROSSKY, PJ
论文数:
0
引用数:
0
h-index:
0
ROSSKY, PJ
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(03)
:1451
-1457
[30]
EFFECTS OF PERIODIC BOUNDARY-CONDITIONS ON EQUILIBRIUM PROPERTIES OF COMPUTER-SIMULATED FLUIDS .1. THEORY
[J].
PRATT, LR
论文数:
0
引用数:
0
h-index:
0
PRATT, LR
;
HAAN, SW
论文数:
0
引用数:
0
h-index:
0
HAAN, SW
.
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(03)
:1864
-1872
←
1
2
3
4
5
→