Mostrando 10 resultados de: 13
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Journal of Physical Organic Chemistry(2)
Applied Sciences (Switzerland)(1)
Chemical Engineering Research and Design(1)
Computational and Theoretical Chemistry(1)
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Química orgánica(6)
Química analítica(4)
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Ingeniería y operaciones afines(2)
DFT 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:googlescopusDegradation 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:scopusExperimental and theoretical study of the thermal decomposition of ethyl acetate during fast pyrolysis
ArticleAbstract: The thermal decomposition of ethyl acetate was experimentally studied in a newly designed fast pyrolPalabras claves:activation energy, Arrhenius equation, Ethyl acetate, pyrolysis, Thermal decomposition, Unimolecular decompositionAutores:Daniela Almeida Streitwieser, Diana C. Vargas, Jose R. Mora, Sebastián Salazar, Van Geem K.M.Fuentes:scopusEfficient production of biodiesel by using a highly active calcium oxide prepared in presence of pectin as heterogeneous catalyst
ArticleAbstract: The cation binding ability of pectin was explored for the preparation of a highly active CaO catalysPalabras claves:Biodiesel, Heterogeneous catalysts, Highly active calcium oxide, Pectin, TransesterificationAutores:Bazani H.A.G., Campedelli R.R., Correa E.L., Jose R. Mora, Nishida E.N., Paula I. Acosta, Souza B.S.Fuentes:scopusPolymers containing imidazole groups as nanoreactors for hydrolysis of esters
Conference ObjectAbstract: A polymer (PAIM) containing the functional groups imidazole and carboxylic acid acts as a nanoreactoPalabras claves:carboxylate esters, Catalysis, Hydrolysis, phosphate esters, polymersAutores:Ferreira N., Fiedler H.D., Giusti L., Jose R. Mora, Medeiros M.Fuentes:googlescopusSurface charge of zwitterionic sulfobetaine micelles with 2-naphthol as a fluorescent probe
ArticleAbstract: 2-Naphthol (2NOH) was used as a fluorescent probe in order to examine and quantify the changes in hyPalabras claves:Autores:Bunton C., Fiedler H.D., Jose R. Mora, Nome F., Pedro J., Silva M.Fuentes:googlescopusSynthesis, characterization, and photophysical properties of a new 2,5-di(aryl)phosphole derivative and their trigonal copper–phosphole complexes
ArticleAbstract: A new phosphole derivative, 2,5-di(2-quinolyl)-1-phenylphosphole (1), was synthesized by using the FPalabras claves:bis(quinolyl)phosphole, Copper–phosphole complexes, fluorescent Cu complexes, PBEPBE/def2svp scan, photophysical propertiesAutores:Deivi Oliveros, Fuentes F., Garcia-Garfido J.M., Jose R. Mora, Rios N., Yomaira OteroFuentes:scopusTheoretical analysis of C–F bond cleavage mediated by cob[I]alamin-based structures
ArticleAbstract: In the present work, C–F bond cleavage mediated by the super-reduced form of cobalamin (i.e., CoICblPalabras claves:Cob[I]alamin, DFT, Halocarbons, Reductive dehalogenationAutores:Cortés-Arriagada D., Fernando Javier Torres, Jose R. Mora, Luis Rincon, Mereau R., Toro-Labbe A.Fuentes:googlescopusTheoretical calculations of the multistep reaction mechanism involved in asparagine pyrolysis supported by degree of rate control and thermodynamic control analyses
ArticleAbstract: A computational study on the mechanisms of reaction for the pyrolysis of asparagine is presented. APalabras claves:asparagine, biomass pyrolysis, pyrolysis, reaction mechanismAutores:Alcázar J.J., Cristian Cervantes, Fernando Javier Torres, Jose R. Mora, Luis Rincon, Marquez E.A., Miguel Angel MéndezFuentes:googlescopusTheoretical study of the adsorption process of antimalarial drugs into acrylamide-base hydrogel model using DFT methods: The first approach to the rational design of a controlled drug delivery system
ArticleAbstract: The interaction between three widely used antimalarial drugs chloroquine, primaquine and amodiaquinePalabras claves:Binding energy, Computational modeling, Drug-delivery system, Hydrogel, Hydrogen bond, Plasmodium falciparumAutores:Cortés E., De Moya A., Jose R. Mora, Marquez E.A., Puello-Polo E., Rangel N., Trilleras J.Fuentes:googlescopus