Chattaraj, P. K. ; Giri, S. (2009) Multi-decker sandwich complexes using Be32- and Mg32- dianions International Journal of Quantum Chemistry, 109 (11). pp. 2373-2382. ISSN 0020-7608
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.221...
Related URL: http://dx.doi.org/10.1002/qua.22124
Abstract
Global and local reactivity descriptors as well as the nucleus independent chemical shift values of different multi-decker sandwich complexes involving Be32− and Mg32− dianions are calculated at the B3LYP/6-311+G level of theory. Important insights into their bonding, reactivity, and aromaticity are obtained through this study.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons. |
| Keywords: | Multi-decker Sandwich Complexes; Aromaticity; Dianion Metal Clusters; Conceptual DFT |
| ID Code: | 71165 |
| Deposited On: | 24 Nov 2011 09:22 |
| Last Modified: | 24 Nov 2011 09:22 |
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