Journal Article

FZJ-2014-02946

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons

Plasser, F. ; Pašalić, H. ; Gerzabek, M. H. ; Libisch, F. ; Reiter, R. ; Burgdörfer, J. ; Müller, T.FZJ* ; Shepard, R. ; Lischka, H. (Corresponding Author)

2013
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/anie.201207671

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.

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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 411 - Computational Science and Mathematical Methods (POF2-411) (POF2-411)

Appears in the scientific report 2013

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Database coverage:
; Current Contents - Life Sciences ; Current Contents - Social and Behavioral Sciences ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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