Nano Science and Technology Institute
MSM 2000
MSM 2000
Technical Proceedings of the 2000 International Conference on Modeling and Simulation of Microsystems
 
Chapter 3: Computational Materials
 

Ab initio Molecular Dynamics Simulations of Aluminum Ion Solvation in Water Clusters

Authors:M.I. Lubin, E.J. Bylaska and J.H. Weare
Affilation:University of California, US
Pages:91 - 94
Keywords:ab initio, molecular dynamics, atomic level simulations, quantum mechanics, density functional theory
Abstract:The results of ab initio molecular dynamics simulations of the solvation of Al3+ and its hdrolyzation products in water clusters are reported. Al3+ ions in water clusters (6
Ab initio Molecular Dynamics Simulations of Aluminum Ion Solvation in Water ClustersView PDF of paper
ISBN:0-9666135-7-0
Pages:741
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