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http://hdl.handle.net/10261/76419
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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Alkorta, Ibon | - |
dc.contributor.author | Elguero, José | - |
dc.date.accessioned | 2013-05-21T10:59:33Z | - |
dc.date.available | 2013-05-21T10:59:33Z | - |
dc.date.issued | 2005 | - |
dc.identifier | doi: 10.1002/poc.923 | - |
dc.identifier | issn: 0894-3230 | - |
dc.identifier | e-issn: 1099-1395 | - |
dc.identifier.citation | Journal of Physical Organic Chemistry 18: 719- 724 (2005) | - |
dc.identifier.uri | http://hdl.handle.net/10261/76419 | - |
dc.description.abstract | Theoretical calculations at semi-empirical AM1 and density functional B3LYP/6-31G* levels were carried out on 52 NH-indazoles. Although in most cases the 1H-tautomer is the most stable, we found several indazoles for which the 2H-tautomer is more stable than the 1H-tautomer. The differences in energy between the 1H-and 2H-tautomers were interpreted in terms of substituent effects with the use of a Free-Wilson (presence-absence) matrix. Copyright © 2005 John Wiley & Sons, Ltd. | - |
dc.language.iso | eng | - |
dc.publisher | John Wiley & Sons | - |
dc.rights | closedAccess | - |
dc.title | Theoretical estimation of the annular tautomerism of indazoles | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1002/poc.923 | - |
dc.date.updated | 2013-05-21T10:59:34Z | - |
dc.description.version | Peer Reviewed | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | none | - |
item.openairetype | artículo | - |
item.fulltext | No Fulltext | - |
item.languageiso639-1 | en | - |
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accesoRestringido.pdf | 15,38 kB | Adobe PDF | Visualizar/Abrir |
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