1. Repository of OAI
  2. ΑΠΟΘΕΤΗΡΙΟ "ΟΛΥΜΠΙΑΣ"
  3. Σχολή Θετικών Επιστημών
  4. Τμήμα Χημείας
  5. Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ
Ελληνικά   English  
Please use this identifier to cite or link to this item: https://olympias.lib.uoi.gr/jspui/handle/123456789/9009
Full metadata record
DC FieldValueLanguage
dc.contributor.authorE. Drougas,en
dc.contributor.authorAgnie M. Kosmasen
dc.date.accessioned2015-11-24T16:45:58Z-
dc.date.available2015-11-24T16:45:58Z-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/9009-
dc.rightsDefault Licence-
dc.titleQuantum mechanical studies on the potential energy surface of the reactions CH3+OClO, CH3O+ClO and CH3O2+Clen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primary10.1016/S0009-2614(02)01981-4-
heal.identifier.secondaryhttp://www.sciencedirect.com/science/article/pii/S0009261402019814-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.publicationDate2003-
heal.abstractThe potential energy surface for the reactions CH3+OClO (1), CH3O+ClO (2) and CH3O2+Cl (3) is investigated using ab initio quantum mechanical methods. The calculations indicate the intermediate formation of two important isomeric energy minima, CH3OClO and CH3OOCl. H2CO+HOCl and CH3O+ClO are shown to be the most probable products for reaction (1) and H2CO+HOCl and CH2O2+HCl for reaction (2). Reaction (3) most probably leads to either CH2O2+HCl or CH3O+ClO.en
heal.publisherElsevieren
heal.journalNameChemical Physics Lettersen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ

Show simple item record
Files in This Item:
File Description SizeFormat 
Mylona-Kosmas-2003-Quantum mechanical studies.pdf108.56 kBAdobe PDFView/Open    Request a copy
Show simple item record  


This item is licensed under a Creative Commons License Creative Commons