<b>Hydration of Cd(II): molecular dynamics study</b>
An ab initio two-body potential and a function correcting for 3-body effects for Cd(II)-water system are constructed. The hydration structure of Cd(II) has been studied by means of molecular dynamics simulations. The inclusion of the three-body correction was found to be crucial for the description...
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| Format: | Article |
| Language: | English |
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Chemical Society of Ethiopia
2008-12-01
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| Series: | Bulletin of the Chemical Society of Ethiopia |
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| Online Access: | http://www.ajol.info/index.php/bcse/article/view/61229 |