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Article(2)
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Journal of Computational Methods in Sciences and Engineering(1)
Journal of Molecular Structure: THEOCHEM(1)
On 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