Article ID Journal Published Year Pages File Type
5395224 Computational and Theoretical Chemistry 2011 5 Pages PDF
Abstract
► Mobility of water around an ion was systematically examined. ► Fast mobility of water could not be reproduced using classical molecular dynamics. ► Ion-water interactions could be important to reproduce fast mobility of water. ► TIP5P model can be promising to reproduce fast mobility of water around an ion.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Assessment of dynamic properties of water around a monovalent ion: A classical molecular dynamics simulation study
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