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dc.contributor.authorAlkorta, Ibon-
dc.contributor.authorElguero, José-
dc.date.accessioned2013-01-09T14:47:32Z-
dc.date.available2013-01-09T14:47:32Z-
dc.date.issued2011-
dc.identifierdoi: 10.1016/j.comptc.2010.11.030-
dc.identifierissn: 2210-271X-
dc.identifier.citationComputational and Theoretical Chemistry 964: 25- 31 (2011)-
dc.identifier.urihttp://hdl.handle.net/10261/63913-
dc.description.abstractThe conformation of nine N,N′-linked heterocycles including pyrrole, carbazole, 4H-1,2,4-triazole, pyrazole, pyridinium and 4-pyridone has been explored (minima and transition states) at the B3LYP/6-31G(d) level. Besides, six conformationally restricted molecules belonging to the same series have been calculated. © 2010 Elsevier B.V.-
dc.language.isoeng-
dc.publisherElsevier-
dc.rightsclosedAccess-
dc.titleA computational study of the conformation of heterocyclic systems related to biphenyl-
dc.typeArtículo-
dc.identifier.doi10.1016/j.comptc.2010.11.030-
dc.relation.publisherversionhttp://dx.doi.org/10.1016/j.comptc.2010.11.030-
dc.date.updated2013-01-09T14:47:32Z-
dc.description.versionPeer Reviewed-
Appears in Collections:(IQM) Artículos
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