MEAN FORCE POTENTIAL FOR THE CALCIUM-CHLORIDE ION-PAIR IN WATER

被引：39

作者：

GUARDIA, E ^{[1
]}

ROBINSON, A ^{[1
]}

PADRO, JA ^{[1
]}

机构：

[1] UNIV BARCELONA,DEPT FIS FONAMENTAL,E-08028 BARCELONA,SPAIN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1993年 / 99卷 / 05期

关键词：

D O I：

10.1063/1.466076

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：4229 / 4230

页数：2

共 15 条

[1] COMPUTER-SIMULATION STUDY OF THE MEAN FORCES BETWEEN FERROUS AND FERRIC IONS IN WATER [J].

BADER, JS ;

CHANDLER, D .

JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (15) :6423-6427

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

BERENDSEN, HJC ;

GRIGERA, JR ;

STRAATSMA, TP .

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

[3] 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

[4] TEMPERATURE-DEPENDENCE OF INTERACTIONS OF AN ION-PAIR IN WATER - A MOLECULAR-DYNAMICS STUDY [J].

DANG, LX .

JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (03) :1919-1921

[5] THE EFFECT OF WATER MODELS ON THE INTERACTION OF THE SODIUM-CHLORIDE ION-PAIR IN WATER - MOLECULAR-DYNAMICS SIMULATIONS [J].

DANG, LX ;

RICE, JE ;

KOLLMAN, PA .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (10) :7528-7529

[6] ON THE CORRELATION BETWEEN LIKE ION-PAIRS IN WATER [J].

DANG, LX ;

PETTITT, BM ;

ROSSKY, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (05) :4046-4047

[7] STATISTICAL ERRORS IN CONSTRAINED MOLECULAR-DYNAMICS CALCULATIONS OF THE MEAN FORCE POTENTIAL [J].

GUARDIA, E ;

REY, R ;

PADRO, JA .

MOLECULAR SIMULATION, 1992, 9 (03) :201-211

[8] POTENTIAL OF MEAN FORCE BY CONSTRAINED MOLECULAR-DYNAMICS - A SODIUM-CHLORIDE ION-PAIR IN WATER [J].

GUARDIA, E ;

REY, R ;

PADRO, JA .

CHEMICAL PHYSICS, 1991, 155 (02) :187-195

[9] NA+-NA+ AND CL--CL- ION-PAIRS IN WATER - MEAN FORCE POTENTIALS BY CONSTRAINED MOLECULAR-DYNAMICS [J].

GUARDIA, E ;

REY, R ;

PADRO, JA .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (04) :2823-2831

[10] MOLECULAR-DYNAMICS SIMULATION OF FERROUS AND FERRIC IONS IN WATER [J].

GUARDIA, E ;

PADRO, JA .

CHEMICAL PHYSICS, 1990, 144 (03) :353-362

← 1 2 →