MOLECULAR-DYNAMICS SIMULATION OF FERROUS AND FERRIC IONS IN WATER

被引：47

作者：

GUARDIA, E ^{[1
]}

PADRO, JA ^{[1
]}

机构：

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

来源：

CHEMICAL PHYSICS | 1990年 / 144卷 / 03期

关键词：

D O I：

10.1016/0301-0104(90)80100-C

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：

Molecular dynamics simulations of single Fe2+ and Fe3+ ions in aqueous solutions were carried out using a flexible SPC model for water molecules. The effects of ionic charges on the structural and dynamical properties (translational, librational, vibrational and reorientational motions) of water molecules in the first hydration shell are discussed. © 1990.

引用

页码：353 / 362

页数：10

共 45 条

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