Please use this identifier to cite or link to this item:
https://olympias.lib.uoi.gr/jspui/handle/123456789/9014Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | D.K. Papayannis, | en |
| dc.contributor.author | Agnie M. Kosmas | en |
| dc.date.accessioned | 2015-11-24T16:45:59Z | - |
| dc.date.available | 2015-11-24T16:45:59Z | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/9014 | - |
| dc.rights | Default Licence | - |
| dc.title | Quasiclassical trajectory studies on the gas-phase BrO self-reaction | en |
| heal.type | journalArticle | - |
| heal.type.en | Journal article | en |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.identifier.primary | 10.1139/v01-175 | - |
| heal.identifier.secondary | http://www.nrcresearchpress.com/doi/abs/10.1139/v01-175#.Us_O-fu2aho | - |
| heal.language | en | - |
| heal.access | campus | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.publicationDate | 2001 | - |
| heal.abstract | The effect of initial vibrational energy and the mode of disposal of available energy into products for the disproportionation reaction between BrO radicals are studied using the quasiclassical trajectory (QCT) technique. The calculations are performed on an analytical potential enegy surface based on ab initio results reported for the three isomeric forms of (BrO)2 system. The results indicate a mild dependence on reactant vibrational energy, which is discussed in terms of the mechanistic aspects of the reaction. The study of the distribution of total accessible energy among products indicates a different mode of energy disposal in each path and hence important differences on the mechanism by which each channel takes place. | en |
| heal.publisher | Canadian Science Publishing | en |
| heal.journalName | Canadian Journal of Chemistry | 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-2001-Quasiclassical trajectory.pdf | 368.36 kB | Adobe PDF | View/Open Request a copy |
This item is licensed under a Creative Commons License
