| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395239 | Computational and Theoretical Chemistry | 2011 | 4 Pages |
Abstract
DFT calculations on small Au12 clusters reveal a side-wise folding mechanism of this planar cluster in the presence of added transition-metal atoms or ions like Cr, Mo, W, Vâ, Nbâ, Taâ, Mn+, Tc+ and Re+. Such a process is highly exothermic and leads to the formation of an 18 electron closed shell structure. The barriers for such a conversion is small and the experimental strategies are proposed for favorable observation of such a process.
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Authors
A. Nijamudheen, Deepthi Jose, Ayan Datta,