{ "dc.contributor.author": "Poater i Teixidor, Jordi" , "dc.contributor.author": "Solà i Puig, Miquel" , "dc.date.accessioned": "2015-11-03T12:52:27Z" , "dc.date.available": "2015-11-03T12:52:27Z" , "dc.date.issued": "2011" , "dc.identifier.issn": "1359-7345 (versió paper)" , "dc.identifier.issn": "1364-548X (versió electrònica)" , "dc.identifier.uri": "http://hdl.handle.net/10256/11422" , "dc.description.abstract": "4N Baird's rule represented the extension of Hückel's 4N + 2 rule to triplet state systems. In this work we extend the 2(N + 1)2 Hirsch rule for spherical aromatic species to open-shell spherical compounds and we provide evidence that those spherical species having a same-spin half-filled last energy level with the rest of the levels being fully-filled, i.e., those having 2N2 + 2N + 1 electrons and S = N +1/2 , are aromatic" , "dc.description.sponsorship": "We thank the Spanish MICINN (CTQ2008-03077/BQU, CTQ2008-06532/BQU, CTQ2011-23156, Ramon y Cajal contract), the Catalan DIUE (2009SGR637, 2009SGR528, ICREA Academia 2009 prize), CESCA and BSC" , "dc.format.mimetype": "application/pdf" , "dc.language.iso": "eng" , "dc.publisher": "Royal Society of Chemistry (RSC)" , "dc.relation": "MEC/PN 2009-2011/CTQ2008-03077/BQU" , "dc.relation": "MEC/PN 2009-2011/CTQ2008-06532/BQU" , "dc.relation": "MICINN/PN 2012-2014/CTQ2011-23156" , "dc.relation": "AGAUR/2009-2014/2009 SGR-637" , "dc.relation": "AGAUR/2009-2014/2009 SGR-528" , "dc.relation.isformatof": "Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c1cc14958j" , "dc.relation.ispartof": "© Chemical Communications, 2011, vol. 47, núm. 42, p. 11647-11649" , "dc.relation.ispartofseries": "Articles publicats (D-Q)" , "dc.rights": "Tots els drets reservats" , "dc.subject": "Aromaticitat (Química)" , "dc.subject": "Aromaticity (Chemistry)" , "dc.title": "Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule" , "dc.type": "info:eu-repo/semantics/article" , "dc.rights.accessRights": "info:eu-repo/semantics/embargoedAccess" , "dc.embargo.terms": "Cap" , "dc.type.version": "info:eu-repo/semantics/publishedVersion" , "dc.identifier.doi": "http://dx.doi.org/10.1039/c1cc14958j" , "dc.identifier.idgrec": "015419" , "dc.contributor.funder": "Ministerio de Ciencia e Innovación (Espanya)" , "dc.contributor.funder": "Ministerio de Educación y Ciencia (Espanya)" , "dc.contributor.funder": "Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca" }