Please use this identifier to cite or link to this item:
https://olympias.lib.uoi.gr/jspui/handle/123456789/10163Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | E. Drougas, | en |
| dc.contributor.author | Agnie M. Kosmas | en |
| dc.date.accessioned | 2015-11-24T16:54:30Z | - |
| dc.date.available | 2015-11-24T16:54:30Z | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/10163 | - |
| dc.rights | Default Licence | - |
| dc.title | Computational studies on the thermal decomposition and isomerization of CHBr2O radical | en |
| heal.type | journalArticle | - |
| heal.type.en | Journal article | en |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.identifier.primary | 10.1016/j.chemphys.2004.10.039 | - |
| heal.identifier.secondary | http://www.sciencedirect.com/science/article/pii/S0301010404006366 | - |
| heal.language | en | - |
| heal.access | campus | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.publicationDate | 2005 | - |
| heal.abstract | The unimolecular decomposition study of dibromomethoxy radical, CHBr2O, and its isomeric hydroxy dibromomethyl radical, CBr2OH, is carried out using ab initio electronic molecular structure methods. Three kinds of reaction pathways are examined, C-H and C-Br bond scissions, intramolecular three-center HBr elimination and isomerization. Based on the ab initio results, energy-specific rate coefficients k(E) and thermal rate constants k(T,P) are evaluated using RRKM theory and master equation numerical analysis. Relevance to existing experimental evidence is discussed. | en |
| heal.publisher | Elsevier | en |
| heal.journalName | Chemical Physics | en |
| heal.journalType | peer reviewed | - |
| heal.fullTextAvailability | TRUE | - |
| Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Mylona-Kosmas-2005-Computational studies on.pdf | 363.42 kB | Adobe PDF | View/Open Request a copy |
This item is licensed under a Creative Commons License
