Please use this identifier to cite or link to this item: https://biore.bio.bg.ac.rs/handle/123456789/828
Title: Computational and spectroscopic data correlation study of N,N'-bisarylmalonamides (Part II)
Authors: Arsovski, Violeta M.
Božić, Bojan 
Mirković, Jelena M.
Vitnik, Vesna D.
Vitnik, Željko J.
Petrović, Slobodan D.
Ušćumlić, Gordana S.
Mijin, Dušan
Keywords: Chemical shift;DFT calculation;LFER analysis;N,N'-bisarylmalonamide
Issue Date: 22-Sep-2015
Rank: M21
Journal: Journal of Molecular Modeling
Volume: 21
Issue: 9
Start page: 239
Abstract: 
© 2015, Springer-Verlag Berlin Heidelberg. To complement a previous UV study, we present a quantitative evaluation of substituent effects on spectroscopic data (1H and 13C NMR chemical shifts as well as FT-IR absorption frequency) applied to N,N'-bisarylmalonamides, using simple and extended Hammett equations as well as the Swain-Lupton equation. Furthermore, the DFT CAM-B3LY...
URI: https://biore.bio.bg.ac.rs/handle/123456789/828
ISSN: 1610-2940
DOI: 10.1007/s00894-015-2777-z
Appears in Collections:Journal Article

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