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Journal of Physical Organic Chemistry(3)
Computational and Theoretical Chemistry(1)
International Journal of Quantum Chemistry(1)
Journal of Computational Methods in Sciences and Engineering(1)
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Química física(6)
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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: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: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:scopusThe reaction mechanism of the gas-phase thermal decomposition kinetics of neopentyl halides: A DFT study
ArticleAbstract: The kinetics and mechanisms of the gas-phase elimination reactions of neopentyl chloride and neopentPalabras claves:DFT calculations, kinetics, neopentyl halides, Thermal decompositionAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Lezama J., Marquez E.A.Fuentes:googlescopusTheoretical 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 gas-phase thermal decomposition kinetics of selected thiomethyl chloroalkanes: A new insight of the mechanism
ArticleAbstract: Theoretical calculations of the gas-phase thermal decomposition kinetics of 2-thiomethyl-1-chloroethPalabras claves:2-Thiomethyl-1-chloroethane, 4-Thiomethyl-1-chlorobutane, kinetics, Theoretical calculations, Thermal decompositionAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Lezama J., Loroño M.A., Luiggi M., Marquez E.A.Fuentes:googlescopus