Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation

dc.contributor.author	Khodov I.
dc.contributor.author	Belov K.
dc.contributor.author	Efimov S.
dc.contributor.author	De Carvalho L.
dc.date.accessioned	2020-01-21T20:35:40Z
dc.date.available	2020-01-21T20:35:40Z
dc.date.issued	2019
dc.identifier.issn	0094-243X
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/157465
dc.description.abstract	© 2019 Author(s). The paper is dedicated to preferred conformations of mefenamic acid in DMSO. A complex approach based on NME experiments and GIAO quantum chemical calculations was applied to reveal the dominant conformation of the mefenamic acid molecule (2-[(2,3-dimethylphenyl)amino]benzoic acid). Unlike the nuclear Overhauser effect measurements, this method is fast and provides qualitative information on preferred conformations of small molecules in solutions. Obtained results agree well with the X-ray investigation data.
dc.relation.ispartofseries	AIP Conference Proceedings
dc.title	Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation
dc.type	Conference Paper
dc.relation.ispartofseries-volume	2063
dc.collection	Публикации сотрудников КФУ
dc.source.id	SCOPUS0094243X-2019-2063-SID85060491012

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Публикации сотрудников КФУ Scopus [24551]
Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.