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Journal of Physical Chemistry A(4)
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Density functional theory calculations of the gas-phase elimination kinetics of 2-(dimethylamino)ethyl chloride and ethyl chloride
ArticleAbstract: The kinetic and mechanism of the unimolecular gas-phase elimination of 2-(dimethylamino)ethyl chloriPalabras claves:2-(Dimethylamino)ethyl chloride, Gas-phase kinetics, Theoretical calculations, Unimolecular mechanismAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Maldonado A.Fuentes:googlescopusDFT calculations of triethyl and trimethyl orthoacetate elimination kinetics in the gas phase
ArticleAbstract: The reaction paths for the gas-phase molecular elimination of triethyl and trimethyl orthoesters werPalabras claves:Autores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Marquez E.A.Fuentes:googlescopusA new insight on the gas phase retro-Diels-Alder reaction of bicyclic compounds: Density functional theory calculations
ArticleAbstract: The mechanisms of the gas-phase thermal decomposition of bicyclo[2.2.1]heptadiene and 3,7,7-trimethyPalabras claves:3,7,7-trimethylbicyclo[2.2.1]hept-2-ene, Bicyclo[2.2.1]heptadiene, Gas-phase elimination, kinetics, Theoretical calculationsAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Lezama J.Fuentes:googlescopusExperimental and theoretical studies of the homogeneous, unimolecular gas-phase elimination kinetics of trimethyl orthovalerate and trimethyl orthochloroacetate
ArticleAbstract: The rates of gas-phase elimination of trimethyl orthovalerate and trimethyl orthochloroacetate havePalabras claves:Autores:Chuchania G., Córdova-Sintjago T.C., Dominguez R.M., Jose R. Mora, Marquez E.A.Fuentes:googlescopusKinetic Determination of the Gas-Phase Decarbonylation of Butyraldehyde in the Presence of HCl Catalyst
ArticleAbstract: The gas-phase kinetics and mechanism of the homogeneous elimination of CO from butyraldehyde in thePalabras claves:Autores:Cartaya L., Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Julio L.L., Maldonado A., Monascal Y.Fuentes:googlescopusKinetics and mechanisms of the thermal decomposition of 2-methyl-1,3-dioxolane, 2,2-dimethyl-1,3-dioxolane, and cyclopentanone ethylene ketal in the gas phase. Combined experimental and DFT study
ArticleAbstract: The kinetics of the gas-phase thermal decomposition of 2-methyl-1,3- dioxolane, 2,2-dimethyl-1,3-dioPalabras claves:Autores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Lezama J., Maldonado A., Rosas F.Fuentes:googlescopusKinetics and mechanisms of the unimolecular elimination of 2,2-diethoxypropane and 1,1-diethoxycyclohexane in the gas phase: Experimental and theoretical study
ArticleAbstract: The gas-phase thermal elimination of 2,2-diethoxypropane was found to give ethanol, acetone, and ethPalabras claves:Autores:Chuchania G., Córdova-Sintjago T.C., Dominguez R.M., Jose R. Mora, Lezama J., Maldonado A., Rosas F.Fuentes:googlescopusThe mechanism of the gas-phase elimination kinetics of the β,γ-unsaturated aldehyde 2,2–dimethyl-3-butenal: a theoretical study
ArticleAbstract: The study on the mechanism of the gas-phase elimination or thermal decomposition kinetics of 2, 2-diPalabras claves:2,2-dimethyl-3-butenal, Elimination, Kinetic, mechanism, Theoretical calculationAutores:Cartaya L., Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Maldonado A., Marquez E.A., Rodriguez A.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 reaction mechanism of the gas-phase thermal decomposition kinetics of neopentyl halides: A DFT study
ArticleAbstract: The kinetics and mechanisms of the gas-phase elimination reactions of neopentyl chloride and neopentPalabras claves:DFT calculations, kinetics, neopentyl halides, Thermal decompositionAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Lezama J., Marquez E.A.Fuentes:googlescopus