Comment on ‘‘Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations’’ [J. Mol. Struct. 1052 (2013) 38–49]

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dc.conicet.organizacionConsejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"
dc.conicet.paisOrganizacionArgentina
dc.conicet.produccionid5113114
dc.contributor.authorErben, Mauricio Federico
dc.date.accessioned2017-09-21T17:08:49Z
dc.date.available2017-09-21T17:08:49Z
dc.date.issued2014-01-06
dc.date.updated2017-09-18T14:29:15Z
dc.description.abstractThe title paper [1] reports the analysis of the vibrational spectra (infrared and Raman) of solid carbimazole based on the computed molecular structure for a rather unusual conformer. The optimized structure does agree neither with the reported crystallographic data nor with previous vibrational studies omitted in [1]. Here, after a careful analysis of the conformational space, the proper molecular structure of carbimazole has been calculated and the vibrational spectra have been analyzed. These results are in agreement with the available experimental data.es
dc.description.filFil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
dc.formatapplication/pdfes
dc.identifier.citationErben, Mauricio Federico; Comment on ‘‘Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations’’ [J. Mol. Struct. 1052 (2013) 38–49]; Elsevier Science; Journal of Molecular Structure; 1056-1057; 6-1-2014; 216-218es
dc.identifier.institucionalCONICET
dc.identifier.issn0022-2860es
dc.identifier.repoCONICET Digital
dc.identifier.urihttp://hdl.handle.net/11336/24802
dc.journal.ciudadAmsterdames
dc.journal.pagination216-218es
dc.journal.paisPaíses Bajoses
dc.journal.titleJournal of Molecular Structurees
dc.journal.volume1056-1057es
dc.language.isoenges
dc.publisherElsevier Sciencees
dc.relation.alternativeidinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.molstruc.2013.10.035
dc.relation.alternativeidinfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022286013008818
dc.rightsinfo:eu-repo/semantics/openAccess*
dc.rights.urihttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/*
dc.subjectCarbimazolees
dc.subjectQuantum Chemical Calculationses
dc.subjectInfrared Spectrumes
dc.subjectRaman Spectrumes
dc.subject.classificationOtras Ciencias Químicases
dc.subject.classificationCiencias Químicases
dc.subject.classificationCIENCIAS NATURALES Y EXACTASes
dc.titleComment on ‘‘Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations’’ [J. Mol. Struct. 1052 (2013) 38–49]es
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion

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