THE EFFECT OF WATER MODELS ON THE INTERACTION OF THE SODIUM-CHLORIDE ION-PAIR IN WATER - MOLECULAR-DYNAMICS SIMULATIONS

被引：66

作者：

DANG, LX ^{[1
]}

RICE, JE ^{[1
]}

KOLLMAN, PA ^{[1
]}

机构：

[1] UNIV CALIF SAN FRANCISCO,SCH PHARM,DEPT PHARMACEUT CHEM,SAN FRANCISCO,CA 94143

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 93卷 / 10期

关键词：

D O I：

10.1063/1.459714

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：7528 / 7529

页数：2

共 13 条

[1]

[Anonymous], 1981, IONIC HYDRATION CHEM

[2]

[Anonymous], 2013, THEORY SIMPLE LIQUID

[3] THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].

BERENDSEN, HJC ;

GRIGERA, JR ;

STRAATSMA, TP .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271

[4]

Berendsen HJC, 1981, INTERMOLECULAR FORCE, P331, DOI [DOI 10.1007/978-94-015-7658-1_21, 10.1007/978-94-015-7658-1_21]

[5] SODIUM-CHLORIDE ION-PAIR INTERACTION IN WATER - COMPUTER-SIMULATION [J].

BERKOWITZ, M ;

KARIM, OA ;

MCCAMMON, JA ;

ROSSKY, PJ .

CHEMICAL PHYSICS LETTERS, 1984, 105 (06) :577-580

[6] CONSTRAINED MOLECULAR-DYNAMICS AND THE MEAN POTENTIAL FOR AN ION-PAIR IN A POLAR-SOLVENT [J].

CICCOTTI, G ;

FERRARIO, M ;

HYNES, JT ;

KAPRAL, R .

CHEMICAL PHYSICS, 1989, 129 (02) :241-251

[7] IONIC INTERACTIONS IN SOLUTIONS .1. ASSOCIATION CONCEPTS AND MCMILLAN-MAYER THEORY [J].

JUSTICE, MC ;

JUSTICE, JC .

JOURNAL OF SOLUTION CHEMISTRY, 1976, 5 (08) :543-561

[8] Statistical mechanics of fluid mixtures [J].

Kirkwood, JG .

JOURNAL OF CHEMICAL PHYSICS, 1935, 3 (05) :300-313

[9]

KUNZE RW, 1962, J PHYS CHEM-US, V67, P911

[10] ALKALI-HALIDES IN WATER - ION SOLVENT CORRELATIONS AND ION ION POTENTIALS OF MEAN FORCE AT INFINITE DILUTION [J].

PETTITT, BM ;

ROSSKY, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) :5836-5844

← 1 2 →