Please use this identifier to cite or link to this item:
https://olympias.lib.uoi.gr/jspui/handle/123456789/7978Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Papayannis, D. K. | en |
| dc.contributor.author | Melissas, V. S. | en |
| dc.contributor.author | Kosmas, A. M. | en |
| dc.date.accessioned | 2015-11-24T16:37:55Z | - |
| dc.date.available | 2015-11-24T16:37:55Z | - |
| dc.identifier.issn | 0009-2614 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/7978 | - |
| dc.rights | Default Licence | - |
| dc.subject | ab-initio calculations | en |
| dc.subject | stratospheric chemistry | en |
| dc.subject | dibromine monoxide | en |
| dc.subject | molecules | en |
| dc.subject | chlorine | en |
| dc.subject | oxides | en |
| dc.subject | ozone | en |
| dc.subject | atoms | en |
| dc.subject | energetics | en |
| dc.subject | peroxides | en |
| dc.title | A quantum mechanical study of IOX (X = Cl, Br, I) isomers | en |
| heal.type | journalArticle | - |
| heal.type.en | Journal article | en |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.identifier.primary | Doi 10.1016/S0009-2614(02)01057-6 | - |
| heal.identifier.secondary | <Go to ISI>://000177896600016 | - |
| heal.identifier.secondary | http://ac.els-cdn.com/S0009261402010576/1-s2.0-S0009261402010576-main.pdf?_tid=7ce57bd6-3581-11e3-8d77-00000aacb360&acdnat=1381831781_be662723a53342bde0a511b7aa395744 | - |
| heal.language | en | - |
| heal.access | campus | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.publicationDate | 2002 | - |
| heal.abstract | Two different effective-core-potential methodologies, augmented by extra polarization functions were used to investigate a number of iodine triatomics of the type XOI, XIO and IXO (X=Cl, Br, I). The procedures were tested first on the well-studied ClOCl, BrOBr, ClOBr and IOI systems and they were shown to reproduce the full-electron calculation results with reasonable consistency. The results exhibit the same tendencies as the corresponding C1 and Br analogues and produce the greater stability for the isomer with the least electronegative atom in the middle. (C) 2002 Elsevier Science B.V. All rights reserved. | en |
| heal.publisher | Elsevier | en |
| heal.journalName | Chemical Physics Letters | 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 | |
|---|---|---|---|---|
| Papayannis-2002-A quantum mechanical.pdf | 79.73 kB | Adobe PDF | View/Open Request a copy |
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