Comment on "Examining the influence of the [Zn(H2O)6]2+ geometry change on the Monte Carlo simulations of Zn2+ in water"

被引：12

作者：

Bernal-Uruchurtu, MI

Hernandez-Cobos, J

Ortega-Blake, I

机构：

[1] Univ Autonoma Estado Morelos, Fac Ciencias, Cuernavaca 62251, Morelos, Mexico

[2] Univ Nacl Autonoma Mexico, Inst Fis, Lab Cuernavaca, Cuernavaca 62251, Morelos, Mexico

来源：

JOURNAL OF CHEMICAL PHYSICS | 1998年 / 108卷 / 04期

关键词：

D O I：

10.1063/1.475354

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：1750 / 1751

页数：2

共 8 条

[1] REFINED MONTE-CARLO STUDY OF MG2+ AND CA2+ HYDRATION [J].

BERNALURUCHURTU, MI ;

ORTEGABLAKE, I .

JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (04) :1588-1598

[2] MONTE-CARLO SIMULATIONS OF WATER CLUSTERS AROUND ZN++ AND A LINEAR ZN++.CO2 COMPLEX [J].

CLEMENTI, E ;

CORONGIU, G ;

JONSSON, B ;

ROMANO, S .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :260-263

[3]

Frisch M.J., 1995, GAUSSIAN 94

[4] Examining the influence of the [Zn(H2O)(6)](2+) geometry change on the Monte Carlo simulations of Zn2+ in water [J].

Marcos, ES ;

Martinez, JM ;

Pappalardo, RR .

JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (14) :5968-5970

[5] CL STUDY OF WATER DIMER POTENTIAL SURFACE [J].

MATSUOKA, O ;

CLEMENTI, E ;

YOSHIMINE, M .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1351-1361

[6] THE ROLE OF NONADDITIVE EFFECTS IN THE 2ND HYDRATION SHELL OF MG-2+ AND CA-2+ - A MOLECULAR-ORBITAL STUDY OF THE 3-BODY POTENTIAL-ENERGY SURFACE [J].

ORTEGABLAKE, I ;

HERNANDEZ, J ;

NOVARO, O .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) :1894-1900

[7] RECOVERING THE CONCEPT OF THE HYDRATED ION FOR MODELING IONIC-SOLUTIONS - A MONTE-CARLO STUDY OF ZN-2+ IN WATER [J].

PAPPALARDO, RR ;

MARCOS, ES .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (17) :4500-4504

[8] NONADDITIVITY IN AN ANALYTICAL INTERMOLECULAR POTENTIAL - THE WATER-WATER INTERACTION [J].

SAINTMARTIN, H ;

MEDINALLANOS, C ;

ORTEGABLAKE, I .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (09) :6448-6452

← 1 →