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https://olympias.lib.uoi.gr/jspui/handle/123456789/14643Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Papayannis, D. K. | en |
| dc.contributor.author | Kosmas, A. M. | en |
| dc.date.accessioned | 2015-11-24T17:39:24Z | - |
| dc.date.available | 2015-11-24T17:39:24Z | - |
| dc.identifier.issn | 0301-0104 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/14643 | - |
| dc.rights | Default Licence | - |
| dc.subject | ioono | en |
| dc.subject | conformers | en |
| dc.subject | isomerization | en |
| dc.subject | bond scission | en |
| dc.subject | thermochemistry | en |
| dc.subject | effective core potentials | en |
| dc.subject | ab-initio | en |
| dc.subject | molecular calculations | en |
| dc.subject | peroxynitrous acid | en |
| dc.subject | gas-phase | en |
| dc.subject | density | en |
| dc.subject | kinetics | en |
| dc.subject | nitrate | en |
| dc.subject | atoms | en |
| dc.subject | thermochemistry | en |
| dc.title | The conformational potential energy surface of IOONO and the isomerization and decomposition processes | en |
| heal.type | journalArticle | - |
| heal.type.en | Journal article | en |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.identifier.primary | DOI 10.1016/j.chemphys.2005.04.014 | - |
| heal.identifier.secondary | <Go to ISI>://000231534100003 | - |
| heal.identifier.secondary | http://ac.els-cdn.com/S0301010405001539/1-s2.0-S0301010405001539-main.pdf?_tid=4751a611873155a0032238ec1cd5f50c&acdnat=1339753851_a54681031044eef495b7ed95b323ad5d | - |
| heal.language | en | - |
| heal.access | campus | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μηχανικών Επιστήμης Υλικών | el |
| heal.publicationDate | 2005 | - |
| heal.abstract | The conformational potential energy surface of iodine peroxy nitrite was investigated using high levels of electronic structure theory. Two minimum energy conformers and five energy maxima have been determined. The comparison with other peroxy nitrites shows interesting correlations with the internal rotational barriers of the Cl, Br analogues and with peroxynitrous acid. Distinct transition states for the isomerization to iodine nitrate and the scission of the peroxy bond have been calculated. Finally, the thermochemistry of IOONO and IONO2 has been reconsidered. (C) 2005 Elsevier B.V. All rights reserved. | 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) | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Papayannis-2005-The conformational p.pdf | 221.83 kB | Adobe PDF | View/Open Request a copy |
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