From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980. (2016)

First Author: Wirz LN
Attributed to:  Support for the UKCP consortium funded by EPSRC


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Bibliographic Information

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PubMed Identifier: 25821044

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Type: Journal Article/Review

Volume: 37

Parent Publication: Journal of computational chemistry

Issue: 1

ISSN: 0192-8651