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Combined experimental and theoretical studies of the elimination kinetic of 2-methoxytetrahydropyran in the gas phase
ArticleAbstract: The products formed in 2-methoxytetrahydropyran elimination reaction in the gas phase are 3, 4-dihydPalabras claves:2-methoxytetrahydropyran, DFT calculations, Gas-phase elimination, kineticsAutores:Chuchania G., Córdova-Sintjago T.C., Dominguez R.M., Jose R. Mora, Marquez E.A., Rosas F.Fuentes:googlescopusAb initio calculations of the gas-phase elimination kinetics of ethyl oxamate, ethyl oxanilate, and ethyl N,N-dimethyl oxamate
Conference ObjectAbstract: Theoretical studies of the gas-phase elimination kinetics of title compounds were performed by usingPalabras claves:"ab initio" calculations, Ethyl N,N-dimethyl oxamate, Ethyl oxamate, Ethyl oxanilate, kinetics, pyrolysis, reaction mechanism, Transition-state structure, Unimolecular eliminationAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Loroño M.A.Fuentes:googlescopusExperimental and theoretical study of the mechanism for the kinetic of elimination of methyl carbazate in the gas phase
ArticleAbstract: The elimination kinetic of methyl carbazate in the gas phase was determined in a static system overPalabras claves:DFT and ab initio calculations, kinetics, Methyl carbazate, Pyrolysls, Unimolecular eliminationAutores:Chuchania G., Córdova-Sintjago T.C., Herize A., Jose R. Mora, Lezama J., Marquez E.A.Fuentes:googlescopusHomogeneous and unimolecular gas-phase thermal decomposition kinetics of methyl benzoylformate: Experimental and theoretical study
ArticleAbstract: The kinetics of the gas-phase thermal decomposition of the α-ketoester methyl benzoylformate was carPalabras claves:DFT calculations, Gas-phase thermal decomposition, Kinetic, mechanism, Methyl benzoylformateAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Maldonado A., Monascal Y.Fuentes:googlescopusJoint theoretical and experimental study of the gas-phase elimination kinetics of tert-butyl ester of carbamic, N,N-dimethylcarbamic, N-hydroxycarbamic acids and 1-(tert-butoxycarbonyl)-imidazole
ArticleAbstract: The gas-phase elimination kinetics of the title compounds were carried out in a static reaction systPalabras claves:B3LYP/6-31G(d), B3LYP/6-31G(d,p) calculations, Gas-phase elimination, kinetics, mechanism, MP2/6-31G, Tert-butyl carbamatesAutores:Barroso J., Chuchania G., Córdova-Sintjago T.C., Dominguez R.M., Herize A., Jose R. Mora, Tosta M.Fuentes:scopusThe 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:scopusTheoretical calculations of the kinetics and mechanisms of the gas phase elimination of primary, secondary, and tertiary 2-hydroxyalkylbenzenes
ArticleAbstract: Theoretical study of the elimination kinetics of 2-phenylethanol, 1-phenyl-2-propanol, and 2-methyl-Palabras claves:1-phenyl-2-propanol and 2-methyl-1-phenyl-2-propanol, 2-phenylethanol, Ab initio and DFT calculations, Gas-phase elimination, kineticsAutores:Albornoz J., Chuchania G., Córdova-Sintjago T.C., Hernandez A.J., Jose R. Mora, Lezama J.Fuentes:googlescopusTheoretical study of neighboring carbonyl group participation in the elimination kinetics of chloroketones in the gas phase
ArticleAbstract: The gas-phase elimination of kinetics 4-chlorobutan-2-one, 5-chloropentan-2-one, and 4-chloro-1-phenPalabras claves:4-chlorobutan-2-one, 5-chloropentan-2-one and 4-chloro-1-phenylbutan-1-one, DFT and MP2 calculations, Gas-phase eliminationAutores:Chuchania G., Córdova-Sintjago T.C., Escalante L., Jose R. Mora, Lezama J., Marquez E.A.Fuentes:googlescopusTheoretical study of the mechanisms for the homogenous gas-phase elimination kinetics of some 2-hydroxynitroalkanes
ArticleAbstract: Theoretical studies for the kinetics of the gas phase elimination of 2-hydroxynitroalkanes were carrPalabras claves:"ab initio" calculations, kinetics, Pyrolysis; 2-hydroxy nitroalkanes, reaction mechanism, Transition state structure, Unimolecular eliminationAutores:Alba Beatriz Vidal, Añez R., Chuchania G., Córdova-Sintjago T.C., Izquierdo R., Sierraalta A.Fuentes:scopus