| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9577911 | Chemical Physics Letters | 2005 | 4 Pages |
Abstract
A molecular dynamics simulation employing three-body corrected pair potentials to describe the ion-water interaction has been performed to investigate the structural and dynamical properties of Bi(III) in dilute aqueous solution. A first shell hydration complex forming a tri-capped trigonal prism was observed. The second shell consists in average of 21 water molecules, the mean ligand residence time of the second shell was evaluated as 8.5Â ps.
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Authors
Serdar Durdagi, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode,