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dc.contributor.authorAlkorta, Ibon-
dc.contributor.authorBlanco, Fernando-
dc.contributor.authorElguero, José-
dc.date.accessioned2013-02-08T12:28:20Z-
dc.date.available2013-02-08T12:28:20Z-
dc.date.issued2008-
dc.identifierdoi: 10.1134/S1070363208040385-
dc.identifierissn: 1070-3632-
dc.identifiere-issn: 1608-3350-
dc.identifier.citationRussian Journal of General Chemistry 78: 784- 792 (2008)-
dc.identifier.urihttp://hdl.handle.net/10261/66429-
dc.description.abstractStructural, energetic, and electronic aspects of a series of porphyrins and related compounds in their neutral, anion, and dianion electronic states have been studied by means of DFT calculations [B3LYP/6-31+G(d,p)]. Analysis of the electron density puts forward a number of different kinds of interactions between the inner atoms. Intramolecular correlations similar to those found in intermolecular N-H•••N interactions have been found. © 2008 MAIK Nauka.-
dc.language.isoeng-
dc.publisherMAIK Nauka/Interperiodica Publishing-
dc.rightsclosedAccess-
dc.titleAcid properties of porphyrins and related systems-
dc.typeartículo-
dc.identifier.doi10.1134/S1070363208040385-
dc.relation.publisherversionhttp://dx.doi.org/10.1134/S1070363208040385-
dc.date.updated2013-02-08T12:28:21Z-
dc.description.versionPeer Reviewed-
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