Computational study of IR, Raman, and NMR spectra of 4-methylmethcathinone drug
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04658-0
Abstract: Molecular electronic structure, IR, UV, and NMR spectra of the most popular cathinone, known as mephedrone or 4-methylmethcathinone (4-MMC), is studied thoroughly by quantum chemical calculation in terms of the density functional theory (DFT). Geometry… read more here.
Keywords: raman; methylmethcathinone; computational study; nmr spectra ... See more keywords
Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV-VIS), chemical reactivity and biological examinations of Ketorolac
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128040
Abstract: Abstract Ketorolac [(±)-5-Benzoyl-2, 3-dihydro-1H-pyrrolizine-1-carboxylic acid] have been investigated by experimental FTIR, FT-Raman, NMR and UV–Visible spectroscopy. The optimized molecular geometry and vibrational wave numbers were calculated by DFT combined B3LYP/6–311++G (d, p) basis set. The… read more here.
Keywords: molecular structure; structure spectroscopic; reactivity; structure ... See more keywords
Concentration gradients in evaporating binary droplets probed by spatially resolved Raman and NMR spectroscopy.
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2111989119
Abstract: SignificanceImagine you spill your drink and miss some spots when cleaning up. The next morning you notice that the stains look quite different on different surfaces. What has happened? In droplets of liquid mixtures, the… read more here.
Keywords: resolved raman; spectroscopy; raman nmr; spatially resolved ... See more keywords