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Classical QSAR and docking simulation of 4-pyridone derivatives for their antimalarial activity
ArticleAbstract: In this work, the minimum energy structures of 22 4-pyridone derivatives have been optimized at DensPalabras claves:Computational study, DFT, Molecular descriptors, Nitrogen compoundsAutores:Alcázar J.J., Flores-Sumoza M., Jose R. Mora, Lezama J., Marquez E.A., Puello-Polo E.Fuentes:googlescopusTheoretical calculations on the mechanism of the elimination kinetics of allyl cyclohexyl-, -amine, -sulfide, -ether, and allyl ethyl ether in the gas phase
ArticleAbstract: The mechanism of the gas-phase elimination allyl cyclohexyl amine, allyl cyclohexyl sulfide, allyl cPalabras claves:Allyl cyclohexyl amine, Allyl cyclohexyl ether, Allyl cyclohexyl sulfide, Allyl ethyl ether, Gas-phase elimination, Kinetic, Retro-ene mechanism, Theoretical calculationsAutores:Chuchania G., Córdova-Sintjago T.C., Espinoza S., Jose R. Mora, Lezama J.Fuentes:googlescopus