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Journal of Computational Methods in Sciences and Engineering(1)
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NMR study of the microstructure of methyl-n-hexadecyl itaconate with styrene copolymers
ArticleAbstract: A series of copolymers of styrene with methyl-n-hexadecylitaconates using different compositions inPalabras claves:Alkyl itaconates, Copolymers, Gauge-Independent Atomic Orbital (GIAO) method, NMR, styreneAutores:Bahsas A., Fernández A., Koteich-Khatib S., López-Carrasquero F., Nahir Y. Dugarte, Rangel-Rangel E.Fuentes:scopusOn the correlation between the bifurcation values of the electron localization function and the nuclear independent chemical shift in aromatic and heteroaromatic compounds
ArticleAbstract: In this work, for a representative set of 24 aromatic molecules, that includes hydrocarbons, heteroPalabras claves:Aromaticity, Density functional calculations, Electron localization function, Nuclear independent chemical shiftAutores:Almeida R., Fernández A., Luis RinconFuentes:googlescopusQuantum similarity studies on the antimalarial agent artemisinin
ArticleAbstract: In this work, a QSAR analysis of antimalarial activities of a set of 21 ester and ether derivativesPalabras claves:Artemisinin, MALARIA, Molecular similarity, QSARAutores:Almeida R., Fernández A., Luis RinconFuentes:googlescopus