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Journal of Physical Organic Chemistry(6)
Molecular Physics(2)
Computational and Theoretical Chemistry(1)
International Journal of Quantum Chemistry(1)
Journal of Computational Methods in Sciences and Engineering(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: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 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: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:scopusKinetics and mechanisms of gas-phase decarbonylation of α-methyl-trans-cinamaldehyde and E-2-methyl-2-pentenal under homogeneous catalysis of hydrogen chloride
ArticleAbstract: The kinetics of the gas-phase elimination of α-methyl-trans- cinamaldehyde catalyzed by HCl in the tPalabras claves:E-2-methyl-2-pentenal, Gas-phase elimination, kinetics, α-methyl-trans-cinamaldehydeAutores:Chuchania G., Jose R. Mora, Julio L.L., Lezama J., Maldonado A.Fuentes:scopusKinetics and mechanisms of gas-phase elimination of 2,2-diethoxyethyl amine and 2,2-diethoxy-N,n-diethylethanamine
ArticleAbstract: The gas-phase elimination kinetics of 2,2-diethoxyethyl amine and 2,2-diethoxy-N,N-diethylethanaminePalabras claves:2,2-diethoxy-N,N-diethylethanamine, 2,2-diethoxyethyl amine, Gas-phase elimination, kinetics, mechanismAutores:Chuchania G., Dominguez R.M., Herize A., Jose R. Mora, 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 calculations on the mechanism of the elimination kinetics of allyl cyclohexyl-, -amine, -sulfide, -ether, and allyl ethyl ether in the gas phase
ArticleAbstract: The mechanism of the gas-phase elimination allyl cyclohexyl amine, allyl cyclohexyl sulfide, allyl cPalabras claves:Allyl cyclohexyl amine, Allyl cyclohexyl ether, Allyl cyclohexyl sulfide, Allyl ethyl ether, Gas-phase elimination, Kinetic, Retro-ene mechanism, Theoretical calculationsAutores:Chuchania G., Córdova-Sintjago T.C., Espinoza S., Jose R. Mora, Lezama J.Fuentes:googlescopusTheoretical calculations on the mechanisms of the gas phase elimination kinetics of chlorocyclohexane, 3-chlorocyclohexene and 4-chlorocyclohexene
ArticleAbstract: The kinetics of the thermal decomposition of the title compounds in the gas phase have been studiedPalabras claves:3-Chlorocyclohexene, 4-Chlorocyclohexene, DFT calculations, Gas-phase eliminationAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Lezama J., Marquez E.A.Fuentes: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