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THERMODYNAMICS OF IONIC SOLVATION - MONTE-CARLO SIMULATIONS OF AQUEOUS CHLORIDE AND BROMIDE IONS
被引:77
作者
:
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
机构
:
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1986年
/ 90卷
/ 25期
关键词
:
D O I
:
10.1021/j100283a017
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:6680 / 6684
页数:5
相关论文
共 17 条
[1]
SODIUM-CHLORIDE ION-PAIR INTERACTION IN WATER - COMPUTER-SIMULATION
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
BERKOWITZ, M
KARIM, OA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
KARIM, OA
MCCAMMON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
MCCAMMON, JA
ROSSKY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
ROSSKY, PJ
[J].
CHEMICAL PHYSICS LETTERS,
1984,
105
(06)
: 577
-
580
[2]
BROOKS C, UNPUB
[3]
STRUCTURAL AND ENERGETIC EFFECTS OF TRUNCATING LONG RANGED INTERACTIONS IN IONIC AND POLAR FLUIDS
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
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
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(11)
: 5897
-
5908
[4]
ENERGY COMPONENT ANALYSIS FOR DILUTE AQUEOUS-SOLUTIONS OF LI+, NA+, F-, AND CL- IONS
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPELLMEYER, DC
论文数:
0
引用数:
0
h-index:
0
SPELLMEYER, DC
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(04)
: 903
-
910
[5]
THEORETICAL-EXAMINATION OF THE SN2 REACTION INVOLVING CHLORIDE-ION AND METHYL-CHLORIDE IN THE GAS-PHASE AND AQUEOUS-SOLUTION
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SMITH, SF
论文数:
0
引用数:
0
h-index:
0
SMITH, SF
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(01)
: 154
-
163
[6]
ENERGY PROFILE FOR A NONCONCERTED SN2 REACTION IN SOLUTION
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(10)
: 2974
-
2975
[7]
HERMANS J, UNPUB
[8]
MONTE-CARLO SIMULATION OF DIFFERENCES IN FREE-ENERGIES OF HYDRATION
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
RAVIMOHAN, C
论文数:
0
引用数:
0
h-index:
0
RAVIMOHAN, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(06)
: 3050
-
3054
[9]
LYBRAND TL, P NATL ACAD SCI US
[10]
HYDRATION OF CHLORIDE AND BROMIDE ANIONS - DETERMINATION OF RELATIVE FREE-ENERGY BY COMPUTER-SIMULATION
LYBRAND, TP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
LYBRAND, TP
GHOSH, I
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
GHOSH, I
MCCAMMON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
MCCAMMON, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(25)
: 7793
-
7794
←
1
2
→
共 17 条
[1]
SODIUM-CHLORIDE ION-PAIR INTERACTION IN WATER - COMPUTER-SIMULATION
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
BERKOWITZ, M
KARIM, OA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
KARIM, OA
MCCAMMON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
MCCAMMON, JA
ROSSKY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
ROSSKY, PJ
[J].
CHEMICAL PHYSICS LETTERS,
1984,
105
(06)
: 577
-
580
[2]
BROOKS C, UNPUB
[3]
STRUCTURAL AND ENERGETIC EFFECTS OF TRUNCATING LONG RANGED INTERACTIONS IN IONIC AND POLAR FLUIDS
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
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
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(11)
: 5897
-
5908
[4]
ENERGY COMPONENT ANALYSIS FOR DILUTE AQUEOUS-SOLUTIONS OF LI+, NA+, F-, AND CL- IONS
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPELLMEYER, DC
论文数:
0
引用数:
0
h-index:
0
SPELLMEYER, DC
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(04)
: 903
-
910
[5]
THEORETICAL-EXAMINATION OF THE SN2 REACTION INVOLVING CHLORIDE-ION AND METHYL-CHLORIDE IN THE GAS-PHASE AND AQUEOUS-SOLUTION
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SMITH, SF
论文数:
0
引用数:
0
h-index:
0
SMITH, SF
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(01)
: 154
-
163
[6]
ENERGY PROFILE FOR A NONCONCERTED SN2 REACTION IN SOLUTION
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(10)
: 2974
-
2975
[7]
HERMANS J, UNPUB
[8]
MONTE-CARLO SIMULATION OF DIFFERENCES IN FREE-ENERGIES OF HYDRATION
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
RAVIMOHAN, C
论文数:
0
引用数:
0
h-index:
0
RAVIMOHAN, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(06)
: 3050
-
3054
[9]
LYBRAND TL, P NATL ACAD SCI US
[10]
HYDRATION OF CHLORIDE AND BROMIDE ANIONS - DETERMINATION OF RELATIVE FREE-ENERGY BY COMPUTER-SIMULATION
LYBRAND, TP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
LYBRAND, TP
GHOSH, I
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
GHOSH, I
MCCAMMON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77004
MCCAMMON, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(25)
: 7793
-
7794
←
1
2
→