Mostrando 3 resultados de: 3
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Publisher
Journal of Computational Methods in Sciences and Engineering(1)
Journal of Molecular Structure: THEOCHEM(1)
Journal of Physical Organic Chemistry(1)
Área de conocimiento
Cinética química(2)
Quantum chemical calculations of the homogeneous, unimolecular, gas-phase elimination kinetics of primary alkyl acetates and (dimethylamino)alkyl acetates: Neighboring group participation in 4-(dimethylamino)-1-butyl acetate
ArticleAbstract: The kinetics and mechanisms of the gas-phase elimination reaction of several alkyl and (dimethylaminPalabras claves:(Dimethylamino)alkyl acetates, Alkyl acetates, Gas-phase kinetics, mechanism, MP2 and DFT calculationsAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Tosta M.Fuentes:googlescopusThe mechanism of the homogeneous, unimolecular gas-phase elimination kinetic of 1,1-dimethoxycyclohexane: Experimental and theoretical studies
ArticleAbstract: The gas-phase elimination of 1,1-dimethoxycyclohexane yielded 1-methoxy-1-cyclohexene and methanol.Palabras claves:1,1-dimethoxycyclohexane, DFT calculations, kinetics, Unimolecular eliminationAutores:Chuchania G., Córdova-Sintjago T.C., Dominguez R.M., Jose R. Mora, Marquez E.A., Rosas F., Tosta M.Fuentes:scopusThe thermal decomposition of 4-bromobutyric acid in the gas phase: A quantum chemical theory calculation
Conference ObjectAbstract: The gas-phase elimination kinetic of 4-bromobutyric acid to give butyrolactone, and hydrogen bromidePalabras claves:4-bromobutyric acid, density functional theory, elimination kinetic, mechanismAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Tosta M.Fuentes:googlescopus