Bonding and delocalization in C60via topographical analysis of the electrostatic potential and electron density

Claxton, Tom A. ; Shirsat, Rajendra N. ; Gadre, Shridhar R. (1994) Bonding and delocalization in C60via topographical analysis of the electrostatic potential and electron density Journal of the Chemical Society - Series Chemical Communications (6). pp. 731-732. ISSN 0022-4936

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Official URL: http://pubs.rsc.org/en/content/articlelanding/1994...

Related URL: http://dx.doi.org/10.1039/C39940000731

Abstract

Analysis of the ab initio electron density distribution of C60 show that all exo bonds to the five-membered rings have partial double-bond character with all molecular electrostatic potential minima located outside the molecular cage.

Item Type:Article
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ID Code:86930
Deposited On:14 Mar 2012 07:54
Last Modified:14 Mar 2012 07:54

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