Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/5033
DC Field | Value | Language |
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dc.contributor.author | Alijah, Alexander | - |
dc.contributor.author | Kryachko, Eugene S. | - |
dc.date.accessioned | 2008-09-01T15:02:48Z | - |
dc.date.available | 2008-09-01T15:02:48Z | - |
dc.date.issued | 2007 | en_US |
dc.identifier.citation | Journal of Molecular Structure. 844-845:(2007) 193-199 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/5033 | - |
dc.description.abstract | A survey of the existing experimental and theoretical data on the trinitrogen dioxide anion that manifests a controversy as to the number of isomers and their chemical structures is presented. To resolve the controversy, new computational studies are performed at the MP2/aug-cc-pVTZ computational level. Two hitherto unknown isomers are predicted, one with singlet and one with triplet spin multiplicity. The singlet isomer, structurally characterized as N2 · [ONO]-, is the most stable among all known isomers and accounts for fragmentation patterns observed in the recent dissociative photodetachment experiments. | en_US |
dc.description.uri | http://www.sciencedirect.com/science/article/B6TGS-4NJG44P-1/1/227cd2941f3868bf784b561b91884425 | en_US |
dc.format.mimetype | aplication/PDF | en |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.subject | Theoretical calculations | en_US |
dc.subject | Isomers | en_US |
dc.subject | Electron detachment | en_US |
dc.title | On the paradigm | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1016/j.molstruc.2007.04.024 | - |
item.fulltext | Com Texto completo | - |
item.grantfulltext | open | - |
item.languageiso639-1 | en | - |
item.cerifentitytype | Publications | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
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file94075e085a3740f3bc42bb54218ac3ff.pdf | 314.86 kB | Adobe PDF | View/Open |
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