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]

dc.creatorErben, Mauricio Federico
dc.date.accessioned2017-09-21T17:08:49Z
dc.date.accessioned2018-11-06T13:30:16Z
dc.date.available2017-09-21T17:08:49Z
dc.date.available2018-11-06T13:30:16Z
dc.date.created2017-09-21T17:08:49Z
dc.date.issued2014-01-06
dc.identifierErben, 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; 216-218
dc.identifier0022-2860
dc.identifierhttp://hdl.handle.net/11336/24802
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1876084
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.
dc.languageeng
dc.publisherElsevier Science
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.molstruc.2013.10.035
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022286013008818
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectCarbimazole
dc.subjectQuantum chemical calculations
dc.subjectInfrared spectrum
dc.subjectRaman spectrum
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]
dc.typeArtículos de revistas
dc.typeArtículos de revistas
dc.typeArtículos de revistas


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