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The multiradical character of one- and two-dimensional graphene nanoribbons.
Plasser, Felix; Pasalic, Hasan; Gerzabek, Martin H; Libisch, Florian; Reiter, Rafael; Burgdörfer, Joachim; Müller, Thomas; Shepard, Ron; Lischka, Hans.
Afiliação
  • Plasser F; Institute for Theoretical Chemistry, University of Vienna, Waehringerstrasse 17, 1090 Vienna, Austria.
Angew Chem Int Ed Engl ; 52(9): 2581-4, 2013 Feb 25.
Article em En | MEDLINE | ID: mdl-23355507
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.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Ano de publicação: 2013 Tipo de documento: Article País de afiliação: Áustria

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Ano de publicação: 2013 Tipo de documento: Article País de afiliação: Áustria