Roy, D. R. ; Bultinck, P. ; Subramanian, V. ; Chattaraj, P. K. (2008) Bonding, reactivity and aromaticity in the light of the multicenter indices Journal of Molecular Structure (Theochem), 854 (1-3). pp. 35-39. ISSN 0166-1280
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.theochem.2007.12.042
Abstract
Some representative chemical reactions and all-metal aromatic/antiaromatic compounds are studied ab initio in order to understand the efficacy of the multicenter indices in providing insights into the associated bonding, reactivity and aromaticity. It is observed that the said indices serve the purpose in most cases.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Multicenter Bond Index (MCI); Aromaticity; NICS; Bonding; Reactivity |
| ID Code: | 71172 |
| Deposited On: | 24 Nov 2011 09:22 |
| Last Modified: | 24 Nov 2011 09:22 |
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