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Journal of Physical Organic Chemistry(4)
International Journal of Quantum Chemistry(2)
Applied Sciences (Switzerland)(1)
Computational and Theoretical Chemistry(1)
International Journal of Chemical Kinetics(1)
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:googlescopusDFT and ab-initio study on the mechanism of the gas-phase elimination kinetics of 1-chloro-3-methylbut-2-ene and 3-chloro-3-methylbut-1-ene and their isomerization
Conference ObjectAbstract: The mechanisms of the gas-phase elimination kinetics of 1-chloro-3-methylbut-2-ene and 3-chloro-3-mePalabras claves:1-chloro-3-methylbut-2-ene, 3-chloro-3-methylbut-1-ene, ab initio and DFT theory, Gas-phase elimination, kinetics, mechanismAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Lezama J., 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: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:googlescopusUnderstanding the lack of reactivity of 2,4-dihydroxybenzaldehyde towards the biginelli adduct using density functional theory molecular modeling
ArticleAbstract: The Biginelli reaction is a multicomponent reaction for obtaining dihydropyrimidinthiones quickly, wPalabras claves:density functional theory, Dihydropyrimidinthione derivatives, Intermediaries, Mechanism reaction, One-pot reactionAutores:Ayala-Medrano E.D., Flores-Morales V., García-Elías J., Jose R. Mora, Marquez E.A., Martínez-Fierro M.L.Fuentes:googlescopusReaction mechanism of the gas-phase pyrolysis of N – Acetylthiourea and N, N’–diacetylthiourea: A theoretical study based in density functional theory
ArticleAbstract: In the present study, we propose a reaction mechanism for the decomposition of N -Acetylthiourea andPalabras claves:Independent Gradient Model, non-covalent interactions, Theoretical calculation, Wiberg bond indexAutores:Alvarado Y.J., Córdova-Sintjago T.C., González-Paz L.A., Joan Vera-Villalobos, Jose R. Mora, Loroño G. M.A., Luis Paz J., Marquez E.A., Mendoza I.Fuentes:scopusThe 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:scopusTheoretical calculations of the multistep reaction mechanism involved in asparagine pyrolysis supported by degree of rate control and thermodynamic control analyses
ArticleAbstract: A computational study on the mechanisms of reaction for the pyrolysis of asparagine is presented. APalabras claves:asparagine, biomass pyrolysis, pyrolysis, reaction mechanismAutores:Alcázar J.J., Cristian Cervantes, Fernando Javier Torres, Jose R. Mora, Luis Rincon, Marquez E.A., Miguel Angel MéndezFuentes:googlescopusTheoretical study of methoxy group influence in the gas-phase elimination kinetics of methoxyalkyl chlorides
ArticleAbstract: The unimolecular gas-phase elimination kinetics of 2-methoxy-1- chloroethane, 3-methoxy-1-chloropropPalabras claves:2-methoxy-1-chloroethane 3-methoxy-1-chloropropane, 4-methoxyl-1- chloroburane, DFT calculations, Gas-phase elimination, kineticsAutores:Brea O., Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Loroño M.A., Marquez E.A.Fuentes:googlescopus