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

Тип публикацииProceedings Article
Дата публикации2019-01-12
SJR0.153
CiteScore0.5
Impact factor
ISSN0094243X, 15517616
Краткое описание
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.
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Journal of Molecular Liquids
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Journal of Supercritical Fluids
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Russian Journal of Physical Chemistry B
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Russian Journal of Organic Chemistry
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Elsevier
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Khodov I. A. et al. Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation // AIP Conference Proceedings. 2019.
ГОСТ со всеми авторами (до 50) Скопировать
Khodov I. A., Belov K. V., Efimov S., De Carvalho L. A. E. B. Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation // AIP Conference Proceedings. 2019.
RIS |
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TY - CPAPER
DO - 10.1063/1.5087339
UR - https://doi.org/10.1063/1.5087339
TI - Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation
T2 - AIP Conference Proceedings
AU - Khodov, I A
AU - Belov, K. V.
AU - Efimov, S.V.
AU - De Carvalho, L A E Batista
PY - 2019
DA - 2019/01/12
PB - AIP Publishing
SN - 0094-243X
SN - 1551-7616
ER -
BibTex
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BibTex (до 50 авторов) Скопировать
@inproceedings{2019_Khodov,
author = {I A Khodov and K. V. Belov and S.V. Efimov and L A E Batista De Carvalho},
title = {Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation},
year = {2019},
month = {jan},
publisher = {AIP Publishing}
}
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