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scopus(75)
Homogeneous and unimolecular gas-phase thermal decomposition kinetics of methyl benzoylformate: Experimental and theoretical study
ArticleAbstract: The kinetics of the gas-phase thermal decomposition of the α-ketoester methyl benzoylformate was carPalabras claves:DFT calculations, Gas-phase thermal decomposition, Kinetic, mechanism, Methyl benzoylformateAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Maldonado A., Monascal Y.Fuentes:googlescopusHomogeneous catalysis on the gas-phase dehydration reaction of tertiary alcohols by hydrogen bromide. Density functional theory calculation
Conference ObjectAbstract: The gas-phase thermal dehydration mechanism of tert-butanol, 2-methyl-2-butanol, 2-methyl-2-pentanolPalabras claves:2-methyl-2-butanol, 2-methyl-2-pentanol and 2,3-dimethyl-2-butanol, DFT calculations, Gas-phase thermal decomposition, HBr catalysis, tert-butanolAutores:Brusco Y., Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Maldonado A., Rosas F.Fuentes:googlescopusHydrogel for the Controlled Delivery of Bioactive Components from Extracts of Eupatorium glutinosum Lam. Leaves
ArticleAbstract: This research reported a hydrogel loaded with the ethanolic and methanolic extracts of Eupatorium glPalabras claves:anti-hemolytic activity, Antibacterial activity, Antioxidant activity, controlled delivery system, secondary metabolitesAutores:Antonio Machado, Frank Alexis, Jose R. Mora, Lizbeth Zamora-Mendoza, Lola De Lima, Santiago Nelson VispoFuentes:googlescopusElectroPredictor: An Application to Predict Mayr’s Electrophilicity E through Implementation of an Ensemble Model Based on Machine Learning Algorithms
ArticleAbstract: Electrophilicity (E) is one of the most important parameters to understand the reactivity of an orgaPalabras claves:Autores:José Luis Paz, Jose R. Mora, López R.A., Marquez E.A., Martín L. Moreno, Martín Moreno, Sebastian CuestaFuentes:googlescopusGas‐phase elimination kinetics of selected aliphatic α,β‐unsaturated aldehydes catalyzed by hydrogen chloride
ArticleAbstract: The gas‐phase elimination of 2‐methyl‐2‐propenal catalyzed by HCl yields propene and CO gas, while EPalabras claves:2‐methyl‐2‐propenal, E‐2‐pentenal, gas‐phase elimination, kinetics, mechanismAutores:Chuchania G., Jose R. Mora, Julio L.L., Maldonado A.Fuentes:googlescopusDensity functional theory and ab initio study on the reaction mechanisms of the homogeneous, unimolecular elimination kinetics of selected 1-chloroalkenes in the gas phase
Conference ObjectAbstract: The mechanisms for the unimolecular elimination kinetics of selected 1-chloroalkenes in the gas phasPalabras claves:1-chloroalkenes, density functional theory, elimination kinetics, G3 and G3MP2 method, mechanismAutores:Berroteran N., 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:googlescopusEffect of the nucleophile’s nature on chloroacetanilide herbicides cleavage reaction mechanism. A dft study
ArticleAbstract: In this study, the degradation mechanism of chloroacetanilide herbicides in the presence of four difPalabras claves:Chloroacetanilide herbicides, DFT calculations, Electronic flux, Nucleophilic substitution, Reaction forceAutores:Fernando Javier Torres, José Luis Paz, Jose R. Mora, Luis Rincon, Marquez E.A., Sebastian CuestaFuentes:googlescopusDirect synthesis of allylic thioethers under greener conditions: A solvent- and catalyst-free approach
ArticleAbstract: We present herein a new catalyst-free and solvent-free approach for the synthesis of allylic thioethPalabras claves:Allylic thioethers, catalyst-free, Green Chemistry, solvent-freeAutores:Braga A.L., Canto R.F.S., Godoi M., Jose R. Mora, Nome F., Tabarelli G.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:googlescopus