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

收藏

页码：7528 / 7529

页数：2

相关论文

共 13 条

[1] [Anonymous], 1981, IONIC HYDRATION CHEM
[2] [Anonymous], 2013, THEORY SIMPLE LIQUID
[3] THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS
BERENDSEN, HJC
GRIGERA, JR
STRAATSMA, TP
[J]. 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
BERKOWITZ, M
KARIM, OA
MCCAMMON, JA
ROSSKY, PJ
[J]. CHEMICAL PHYSICS LETTERS, 1984, 105 (06) : 577 - 580
[6] CONSTRAINED MOLECULAR-DYNAMICS AND THE MEAN POTENTIAL FOR AN ION-PAIR IN A POLAR-SOLVENT
CICCOTTI, G
FERRARIO, M
HYNES, JT
KAPRAL, R
[J]. CHEMICAL PHYSICS, 1989, 129 (02) : 241 - 251
[7] IONIC INTERACTIONS IN SOLUTIONS .1. ASSOCIATION CONCEPTS AND MCMILLAN-MAYER THEORY
JUSTICE, MC
JUSTICE, JC
[J]. JOURNAL OF SOLUTION CHEMISTRY, 1976, 5 (08) : 543 - 561
[8] Statistical mechanics of fluid mixtures
Kirkwood, JG
[J]. 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
PETTITT, BM
ROSSKY, PJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) : 5836 - 5844