Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/5040
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dc.contributor.authorCastro, R. A. Esteves de-
dc.contributor.authorCanotilho, João-
dc.contributor.authorBarbosa, Rui M.-
dc.contributor.authorRedinha, J. Simões-
dc.date.accessioned2008-09-01T15:02:55Z-
dc.date.available2008-09-01T15:02:55Z-
dc.date.issued2007en_US
dc.identifier.citationSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 67:5 (2007) 1194-1200en_US
dc.identifier.urihttp://hdl.handle.net/10316/5040-
dc.description.abstractThe molecular structure of conformational isomorphs given by X-ray diffraction for racemic and enantiomeric atenolol were optimized at the HF/6-31G* level of theory and the infrared spectra of the structure were calculated. These spectra are used to characterize the differences between the various atenolol conformers.en_US
dc.description.urihttp://www.sciencedirect.com/science/article/B6VNG-4M3R2CM-5/1/b10f1bad0cbecc44994eccae4c701ec7en_US
dc.format.mimetypeaplication/PDFen
dc.language.isoengeng
dc.rightsopenAccesseng
dc.subjectAtenololen_US
dc.subject[beta]-Blockersen_US
dc.subjectChiral drugsen_US
dc.subjectIR spectroscopyen_US
dc.subjectConformational isomorphismen_US
dc.titleInfrared spectroscopy of racemic and enantiomeric forms of atenololen_US
dc.typearticleen_US
item.languageiso639-1en-
item.grantfulltextopen-
item.fulltextCom Texto completo-
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais
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