MOLECULAR-DYNAMICS COMPUTER-SIMULATION OF THE HYDRATION OF 2 SIMPLE ORGANIC SOLUTES - COMPARISON WITH THE SIMULATION OF AN EMPTY CAVITY

被引：16

作者：

REMERIE, K ^{[1
]}

VANGUNSTEREN, WF ^{[1
]}

POSTMA, JPM ^{[1
]}

BERENDSEN, HJC ^{[1
]}

ENGBERTS, JBFN ^{[1
]}

机构：

[1] STATE UNIV GRONINGEN, DEPT PHYS CHEM, 9747 AG GRONINGEN, NETHERLANDS

来源：

MOLECULAR PHYSICS | 1984年 / 53卷 / 06期

关键词：

D O I：

10.1080/00268978400103141

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

页码：1517 / 1526

页数：10

共 15 条

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[3]

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[4]

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[5]

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[6]

FRANKS F, 1973, WATER COMPREHENSIVE, V2, pCH5

[7] MOLECULAR-DYNAMICS STUDY OF THE HYDRATION OF LENNARD-JONES SOLUTES [J].

GEIGER, A ;

RAHMAN, A ;

STILLINGER, FH .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01) :263-276

[8] MOLECULAR-DYNAMICS SIMULATION STUDY OF THE NEGATIVE HYDRATION EFFECT IN AQUEOUS-ELECTROLYTE SOLUTIONS [J].

GEIGER, A .

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1981, 85 (01) :52-63

[9] HYDROPHOBIC HYDRATION AROUND A PAIR OF APOLAR SPECIES IN WATER [J].

PANGALI, C ;

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BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (07) :2982-2990

[10]

POSTMA JPM, 1982, FARADAY SYMP CHEM S, P55, DOI 10.1039/fs9821700055

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