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POLARIZATION CONSTRAINTS IN MOLECULAR-DYNAMICS SIMULATION OF AQUEOUS-SOLUTIONS - THE SURFACE CONSTRAINT ALL ATOM SOLVENT (SCAAS) MODEL
被引:111
作者
:
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
WARSHEL, A
KING, G
论文数:
0
引用数:
0
h-index:
0
KING, G
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1985年
/ 121卷
/ 1-2期
关键词
:
D O I
:
10.1016/0009-2614(85)87168-2
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:124 / 129
页数:6
相关论文
共 10 条
[1]
CHEMICAL-REACTION DYNAMICS IN LIQUID SOLUTION
[J].
ADELMAN, SA
论文数:
0
引用数:
0
h-index:
0
ADELMAN, SA
.
ADVANCES IN CHEMICAL PHYSICS,
1983,
53
:61
-223
[2]
MOLECULAR-DYNAMICS SIMULATIONS OF TIPS2 WATER RESTRICTED BY A SPHERICAL HYDROPHOBIC BOUNDARY
[J].
BELCH, AC
论文数:
0
引用数:
0
h-index:
0
BELCH, AC
;
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
.
CHEMICAL PHYSICS LETTERS,
1985,
113
(03)
:278
-282
[3]
BERENDSON HJC, 1981, JERUSALEM S QUANTUM, V44, P332
[4]
STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER
[J].
BRUNGER, A
论文数:
0
引用数:
0
h-index:
0
BRUNGER, A
;
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
CHEMICAL PHYSICS LETTERS,
1984,
105
(05)
:495
-500
[5]
THE NATURE OF DILUTE-SOLUTIONS OF SODIUM-ION IN WATER, METHANOL, AND TETRAHYDROFURAN
[J].
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:
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JORGENSEN, WL
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(10)
:5080
-5089
[6]
FLUCTUATION-DISSIPATION THEOREM
[J].
KUBO, R
论文数:
0
引用数:
0
h-index:
0
KUBO, R
.
REPORTS ON PROGRESS IN PHYSICS,
1966,
29
:255
-+
[7]
RADIAL DISTRIBUTION FUNCTIONS FROM SMALL PACKINGS OF SPHERES
[J].
MASON, G
论文数:
0
引用数:
0
h-index:
0
MASON, G
.
NATURE,
1968,
217
(5130)
:733
-&
[8]
CALCULATIONS OF ELECTROSTATIC INTERACTIONS IN BIOLOGICAL-SYSTEMS AND IN SOLUTIONS
[J].
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
WARSHEL, A
;
RUSSELL, ST
论文数:
0
引用数:
0
h-index:
0
RUSSELL, ST
.
QUARTERLY REVIEWS OF BIOPHYSICS,
1984,
17
(03)
:283
-422
[9]
CALCULATIONS OF CHEMICAL PROCESSES IN SOLUTIONS
[J].
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
WARSHEL, A
.
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(12)
:1640
-1652
[10]
WARSHEL A, UNPUB
←
1
→
共 10 条
[1]
CHEMICAL-REACTION DYNAMICS IN LIQUID SOLUTION
[J].
ADELMAN, SA
论文数:
0
引用数:
0
h-index:
0
ADELMAN, SA
.
ADVANCES IN CHEMICAL PHYSICS,
1983,
53
:61
-223
[2]
MOLECULAR-DYNAMICS SIMULATIONS OF TIPS2 WATER RESTRICTED BY A SPHERICAL HYDROPHOBIC BOUNDARY
[J].
BELCH, AC
论文数:
0
引用数:
0
h-index:
0
BELCH, AC
;
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
.
CHEMICAL PHYSICS LETTERS,
1985,
113
(03)
:278
-282
[3]
BERENDSON HJC, 1981, JERUSALEM S QUANTUM, V44, P332
[4]
STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER
[J].
BRUNGER, A
论文数:
0
引用数:
0
h-index:
0
BRUNGER, A
;
BROOKS, CL
论文数:
0
引用数:
0
h-index:
0
BROOKS, CL
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
CHEMICAL PHYSICS LETTERS,
1984,
105
(05)
:495
-500
[5]
THE NATURE OF DILUTE-SOLUTIONS OF SODIUM-ION IN WATER, METHANOL, AND TETRAHYDROFURAN
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(10)
:5080
-5089
[6]
FLUCTUATION-DISSIPATION THEOREM
[J].
KUBO, R
论文数:
0
引用数:
0
h-index:
0
KUBO, R
.
REPORTS ON PROGRESS IN PHYSICS,
1966,
29
:255
-+
[7]
RADIAL DISTRIBUTION FUNCTIONS FROM SMALL PACKINGS OF SPHERES
[J].
MASON, G
论文数:
0
引用数:
0
h-index:
0
MASON, G
.
NATURE,
1968,
217
(5130)
:733
-&
[8]
CALCULATIONS OF ELECTROSTATIC INTERACTIONS IN BIOLOGICAL-SYSTEMS AND IN SOLUTIONS
[J].
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
WARSHEL, A
;
RUSSELL, ST
论文数:
0
引用数:
0
h-index:
0
RUSSELL, ST
.
QUARTERLY REVIEWS OF BIOPHYSICS,
1984,
17
(03)
:283
-422
[9]
CALCULATIONS OF CHEMICAL PROCESSES IN SOLUTIONS
[J].
WARSHEL, A
论文数:
0
引用数:
0
h-index:
0
WARSHEL, A
.
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(12)
:1640
-1652
[10]
WARSHEL A, UNPUB
←
1
→