Mostrando 10 resultados de: 17
Publisher
International Journal of Quantum Chemistry(4)
International Journal of Molecular Sciences(2)
Journal of Molecular Modeling(2)
Avances en Quimica(1)
Frontiers in Chemistry(1)
Área temáticas
Química orgánica(10)
Química analítica(9)
Química física(7)
Química inorgánica(3)
Química y ciencias afines(3)
Área de conocimiento
Química teórica(7)
Bioquímica(5)
Cinética química(5)
Ingeniería química(4)
Química ambiental(4)
Degradation of methyl paraoxon in the presence of Mg<sup>2+</sup>-Al <sup>3+</sup> mixed oxides
ArticleAbstract: Al3+-Mg2+ mixed oxides were prepared by coprecipitation and characterized with scanning electron micPalabras claves:Autores:Almerindo G., Bechtold I.H., Fiedler H.D., Jose R. Mora, Nome F., Zimmermann L.M.Fuentes:scopusDensity 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:googlescopusConcentration of methanol in some alcoholic beverages marketed in venezuela by means of the GC-FID technique
ArticleAbstract: quantifica-Gas chromatography technique with flame ionization detector (GC-FID) has been employed foPalabras claves:Alcoholic drink, chromatography, ethanol, methanolAutores:Alvarez-Aular A., Cartaya L., Jose R. Mora, Maldonado A., Marquina H., Monascal Y., Trujillo P.Fuentes:scopusEffect 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: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:googlescopusDFT calculations of triethyl and trimethyl orthoacetate elimination kinetics in the gas phase
ArticleAbstract: The reaction paths for the gas-phase molecular elimination of triethyl and trimethyl orthoesters werPalabras claves:Autores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Marquez E.A.Fuentes:googlescopusDFT studies of homogeneous catalysis in the gas phase: Dehydration kinetics of several tertiary alcohols with hydrogen chloride
Conference ObjectAbstract: The mechanisms for the acid-catalyzed gas-phase dehydration of the tertiary alcohols 2-methyl-2-propPalabras claves:DFT calculations, Gas-phase kinetics, mechanism, tertiary alcoholsAutores:Chuchania G., Córdova-Sintjago T.C., Jose R. Mora, Loroño M.A., Marquez D., Marquez E.A.Fuentes:googlescopusA review on the information content of the pair density as a tool for the description of the electronic properties in molecular systems
ReviewAbstract: Recent advances on the use of the information content of the pair density to understand bonding andPalabras claves:electron localization, Kullback-Leibler divergence, pair density, Reaction forceAutores:César H. Zambrano, Fernando Javier Torres, Jose R. Mora, Luis Rincon, Miguel Angel MéndezFuentes:scopusBismuth Oxyhalide-Based Materials (BiOX: X = Cl, Br, I) and Their Application in Photoelectrocatalytic Degradation of Organic Pollutants in Water: A Review
ReviewAbstract: An important target of photoelectrocatalysis (PEC) technology is the development of semiconductor-baPalabras claves:bismuth oxyhalide, Organic pollutants, Photoelectrocatalysis, visible-light, Water treatmentAutores:G. Xavier Castillo-Cabrera, Jose R. Mora, Milton H. Villacís-García, Patricio Javier Espinoza-Montero, Paulina Alulema-PullupaxiFuentes:googlescopus