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Journal of Physical Organic Chemistry(9)
Journal of Physical Chemistry A(6)
Computational and Theoretical Chemistry(5)
International Journal of Chemical Kinetics(5)
International Journal of Quantum Chemistry(4)
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Química analítica(27)
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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: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: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:googlescopusDFT studies of homogeneous catalysis in the gas phase: Dehydration kinetics of several tertiary alcohols with hydrogen chloride
Conference ObjectAbstract: The mechanisms for the acid-catalyzed gas-phase dehydration of the tertiary alcohols 2-methyl-2-propPalabras claves:DFT calculations, Gas-phase kinetics, mechanism, tertiary alcoholsAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Loroño M.A., Marquez D., Marquez E.A.Fuentes:googlescopusDensity 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:googlescopusAb initio and DFT calculations of benzaldoxime elimination kinetics in the gas phase
Conference ObjectAbstract: The mechanism for the gas-phase molecular elimination kinetics of benzaldoxime was examined at MP2/6Palabras claves:Ab initio, Bezaldoxime, DFT calculations, Gas phase elimination, kineticsAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. MoraFuentes: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 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: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:googlescopus