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Please use this identifier to cite or link to this item: https://olympias.lib.uoi.gr/jspui/handle/123456789/8455
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dc.contributor.authorE. Drougas,en
dc.contributor.authorAgnie M. Kosmasen
dc.date.accessioned2015-11-24T16:41:41Z-
dc.date.available2015-11-24T16:41:41Z-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/8455-
dc.rightsDefault Licence-
dc.titleAb initio molecular orbital and RRKM calculations of the thermal decomposition of CH2BrO radicalen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primary10.1016/j.chemphys.2004.01.021-
heal.identifier.secondaryhttp://www.sciencedirect.com/science/article/pii/S0301010404000564-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2004-
heal.abstractA theoretical study of the thermal decomposition and isomerization channels of bromomethoxy radical is carried out using ab initio molecular orbital methods and RRKM theory. Three kinds of reaction pathways are examined, bond scission, intramolecular three-center HBr elimination and isomerization. Energy-specific rate coefficients k(E) and thermal rate constants k(T,P) are evaluated using the ab initio data and RRKM theory. Relevance to existing experimental evidence is discussed.en
heal.publisherElsevieren
heal.journalNameChemical Physicsen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
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