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Angew Chem Int Ed Engl. 2013 Feb 25;52(9):2581-4. doi: 10.1002/anie.201207671. Epub 2013 Jan 28.

The multiradical character of one- and two-dimensional graphene nanoribbons.

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  • 1Institute for Theoretical Chemistry, University of Vienna, Waehringerstrasse 17, 1090 Vienna, Austria.

Abstract

When is an acene stable? The pronounced multiradical character of graphene nanoribbons of different size and shape was investigated with high-level multireference methods. Quantitative information based on the number of effectively unpaired electrons leads to specific estimates of the chemical stability of graphene nanostructures.

Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

PMID:
23355507
[PubMed]
PMCID:
PMC3648980
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