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Journal of Physical Organic Chemistry(3)
Computational and Theoretical Chemistry(1)
Journal of Computational Methods in Sciences and Engineering(1)
Journal of Molecular Structure: THEOCHEM(1)
Molecular Physics(1)
A 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:googlescopusKinetics 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: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 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:googlescopus