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CONFORMATIONAL EQUILIBRIUM OF 1,2-DICHLOROETHANE IN METHYLCHLORIDE - A MONTE-CARLO SIMULATION OF THE DIFFERENTIAL GAUCHE-ANTI SOLVATION
被引:40
作者
:
BIGOT, B
论文数:
0
引用数:
0
h-index:
0
机构:
ECOLE NORMALE SUPER ST CLOUD, CNRS, U510, CHIM THEOR LAB, F-92211 ST CLOUD, FRANCE
UNIV PARIS 11, F-91405 ORSAY, FRANCE
BIGOT, B
[
3
]
COSTACABRAL, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11, F-91405 ORSAY, FRANCE
COSTACABRAL, BJ
RIVAIL, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS 11, F-91405 ORSAY, FRANCE
RIVAIL, JL
机构
:
[1]
UNIV PARIS 11, F-91405 ORSAY, FRANCE
[2]
UNIV NANCY 1, CHIM THEOR LAB, F-54506 NANCY, FRANCE
[3]
ECOLE NORMALE SUPER ST CLOUD, CNRS, U510, CHIM THEOR LAB, F-92211 ST CLOUD, FRANCE
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1985年
/ 83卷
/ 06期
关键词
:
D O I
:
10.1063/1.449213
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:3083 / 3094
页数:12
相关论文
共 55 条
[31]
MONTE-CARLO STUDY OF DIPOLAR HARD SPHERES - PAIR DISTRIBUTION FUNCTION AND DIELECTRIC-CONSTANT
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
[J].
MOLECULAR PHYSICS,
1977,
34
(04)
: 1077
-
1091
[32]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .13. MONTE-CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL
LIE, GC
论文数:
0
引用数:
0
h-index:
0
机构:
NATL TSING HUA UNIV, DEPT CHEM, HSINCHU, TAIWAN
LIE, GC
CLEMENTI, E
论文数:
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0
h-index:
0
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NATL TSING HUA UNIV, DEPT CHEM, HSINCHU, TAIWAN
CLEMENTI, E
YOSHIMINE, M
论文数:
0
引用数:
0
h-index:
0
机构:
NATL TSING HUA UNIV, DEPT CHEM, HSINCHU, TAIWAN
YOSHIMINE, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(06)
: 2314
-
2323
[33]
LINDER B, 1967, ADV CHEM PHYS, V12, P225
[34]
LOWE JP, 1969, PROGR PHYS ORG CHEM, V6, P1
[35]
MARYOTT AA, 1951, NBS51 CIRC
[36]
Mizushima S, 1954, STRUCTURE MOL INTERN
[37]
MONTE-CARLO CALCULATIONS IN ISOTHERMAL-ISOBARIC ENSEMBLE .1. LIQUID WATER
OWICKI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
OWICKI, JC
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
SCHERAGA, HA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(23)
: 7403
-
7412
[38]
PREFERENTIAL SAMPLING NEAR SOLUTES IN MONTE-CARLO CALCULATIONS ON DILUTE-SOLUTIONS
OWICKI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
OWICKI, JC
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
CHEMICAL PHYSICS LETTERS,
1977,
47
(03)
: 600
-
602
[39]
OWICKI JC, 1978, ACS SYM SER, V86, P159
[40]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .4. HARTREE-FOCK POTENTIAL FOR WATER DIMER AND ITS APPLICATION TO LIQUID STATE
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
POPKIE, H
KISTENMA.H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
KISTENMA.H
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(03)
: 1325
-
1336
←
1
2
3
4
5
6
→
共 55 条
[31]
MONTE-CARLO STUDY OF DIPOLAR HARD SPHERES - PAIR DISTRIBUTION FUNCTION AND DIELECTRIC-CONSTANT
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
[J].
MOLECULAR PHYSICS,
1977,
34
(04)
: 1077
-
1091
[32]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .13. MONTE-CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL
LIE, GC
论文数:
0
引用数:
0
h-index:
0
机构:
NATL TSING HUA UNIV, DEPT CHEM, HSINCHU, TAIWAN
LIE, GC
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
NATL TSING HUA UNIV, DEPT CHEM, HSINCHU, TAIWAN
CLEMENTI, E
YOSHIMINE, M
论文数:
0
引用数:
0
h-index:
0
机构:
NATL TSING HUA UNIV, DEPT CHEM, HSINCHU, TAIWAN
YOSHIMINE, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(06)
: 2314
-
2323
[33]
LINDER B, 1967, ADV CHEM PHYS, V12, P225
[34]
LOWE JP, 1969, PROGR PHYS ORG CHEM, V6, P1
[35]
MARYOTT AA, 1951, NBS51 CIRC
[36]
Mizushima S, 1954, STRUCTURE MOL INTERN
[37]
MONTE-CARLO CALCULATIONS IN ISOTHERMAL-ISOBARIC ENSEMBLE .1. LIQUID WATER
OWICKI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
OWICKI, JC
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14853 USA
SCHERAGA, HA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(23)
: 7403
-
7412
[38]
PREFERENTIAL SAMPLING NEAR SOLUTES IN MONTE-CARLO CALCULATIONS ON DILUTE-SOLUTIONS
OWICKI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
OWICKI, JC
SCHERAGA, HA
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
SCHERAGA, HA
[J].
CHEMICAL PHYSICS LETTERS,
1977,
47
(03)
: 600
-
602
[39]
OWICKI JC, 1978, ACS SYM SER, V86, P159
[40]
STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .4. HARTREE-FOCK POTENTIAL FOR WATER DIMER AND ITS APPLICATION TO LIQUID STATE
POPKIE, H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
POPKIE, H
KISTENMA.H
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
KISTENMA.H
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95114
IBM CORP,RES LAB,SAN JOSE,CA 95114
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(03)
: 1325
-
1336
←
1
2
3
4
5
6
→