Mostrando 5 resultados de: 5
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Article(5)
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Computational and Theoretical Chemistry(2)
Molecular Physics(2)
Journal of Molecular Structure: THEOCHEM(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: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: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: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 study on the mechanism of the gas-phase elimination kinetics of alkyl chloroformates
ArticleAbstract: The theoretical calculations on the mechanism of the homogeneous and unimolecular gas-phase eliminatPalabras claves:Ethyl chloroformate, Gas-phase elimination, isopropyl chloroformate, sec-butyl chloroformate, Theoretical calculationsAutores:Alcázar J.J., Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Marquez E.A.Fuentes:googlescopus