Please use this identifier to cite or link to this item: https://olympias.lib.uoi.gr/jspui/handle/123456789/9261
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dc.contributor.authorD.K. Papayannis,en
dc.contributor.authorAgnie M. Kosmasen
dc.date.accessioned2015-11-24T16:47:57Z-
dc.date.available2015-11-24T16:47:57Z-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/9261-
dc.rightsDefault Licence-
dc.titleStructural and relative stability studies of (IClO3) and (IBrO3) polyoxidesen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primary10.1080/00268970410001723019-
heal.identifier.secondaryhttp://www.tandfonline.com/doi/abs/10.1080/00268970410001723019#.UtOXpvu2aho-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2004-
heal.abstractAn effective-core-potential (ECP) methodology, augmented with extra polarization functions has been used at the MP2 level of theory to study the isomers of (IXO3) polyoxides (X=Cl, Br). The reliability of the calculations has been checked by examining the well-characterized (ClClO3) system. Consistent with the relative stability trends observed in the case of chlorine polyoxides, the calculations confirm that the I-hypercoordinated structures present high stability, especially the compounds containing five-coordinated I.en
heal.publisherTaylor & Francisen
heal.journalNameMolecular Physicsen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ

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