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A DF-vdW study of the CH<inf>4</inf> adsorption on different Ni surfaces
ArticleAbstract: A systematic density functional (DF) theory based study of methane (CH 4) adsorption on the three loPalabras claves:DFT, Dispersión, Methane, NiAutores:Illas F., Juan Fernando García, Silvia González Pérez, Viñes F., Yody ErazoFuentes:scopusA molecular mechanism for the chemoselective hydrogenation of substituted nitroaromatics with nanoparticles of gold on TiO<inf>2</inf> catalysts: A cooperative effect between gold and the support
ArticleAbstract: Nanoparticles of gold on TiO2 are highly chemoselective for the reduction of substituted nitroaromatPalabras claves:Autores:Boronat M., Concepción P., Corma A., Illas F., Serna P., Silvia González PérezFuentes:googlescopusA systematic density functional study of ordered sulfur overlayers on Cu(1 1 1) and Ag(1 1 1): Influence of the adsorbate coverage
ArticleAbstract: The interaction of atomic S with the Cu(1 1 1) and Ag(1 1 1) surfaces has been studied using densityPalabras claves:Chemisorption, Copper, coverage, DFT, Poison, Promoter, SILVER, SulfurAutores:Illas F., May M., Silvia González PérezFuentes:googlescopusDehydrochlorination of PCDDs on SWCN-Supported Ni<inf>10</inf> and Ni<inf>13</inf> Clusters, a DFT Study
ArticleAbstract: Polychlorinated dibenzo-p-dioxins (PCDDs) are known to be a group of compounds of high toxicity forPalabras claves:clusters, dehydrochlorination, DFT, dibenzo-p-dioxins, nanotubes, nickelAutores:Arianna Jimbo, César H. Zambrano, Martha Porras, Silvia González PérezFuentes:scopusCO adsorption on monometallic Pd, Rh, Cu and bimetallic PdCu and RhCu monolayers supported on Ru(0 0 0 1)
ArticleAbstract: This work presents a systematic periodic density functional study of the changes in CO adsorption onPalabras claves:Bimetallic, CO adsorption, Cu, DFT, PD, PdCu, Rh, RhCu, Supported monolayersAutores:Illas F., Silvia González PérezFuentes:googlescopusCalculo químicocuántico del cambio de acidez de varias zeolitas ZSM5 causado por un dopante
Bachelor ThesisAbstract: Abstract:The acid H-ZSM zeolite is of great importance for the wide number of industrial processes tPalabras claves:Adsorsion., Zeolita acidaAutores:Eddy Giovanny Torres Pérez, Silvia González PérezFuentes:rraaeAdsorption and oxidation of NO on Au(1 1 1) surface: Density functional studies
ArticleAbstract: Experiments reveal that NO molecules react with atomic O on the Au(1 1 1) surface at low temperaturePalabras claves:Autores:Illas F., Neyman K.M., Silvia González Pérez, Torres D.Fuentes:googlescopusFabrication and sustained release properties of poly(ε-caprolactone) electrospun fibers loaded with layered double hydroxide nanoparticles intercalated with amoxicillin
ArticleAbstract: Amoxicillin (AMOX) was intercalated in layered double hydroxide (LDH) nanoparticles by coprecipitatiPalabras claves:amoxicillin, Electrospinning, fibers, layered double hydroxide, Poly(ε-caprolactone)Autores:Eduardo Valarezo, Omar Malagòn, Silvia González Pérez, Tammaro L., Vittoria V.Fuentes:scopusFeatures and catalytic properties of RhCu: A review
Book PartAbstract: The study of bimetallic catalysts has scientific and technologic importance because of special catalPalabras claves:Bimetallic, Catalysis, DFT, RhCuAutores:C. Sousa, F. Illas, Illas F., S. Gonzalez Perez, Silvia González Pérez, Sousa C.Fuentes:googlerraaescopusEvidence for spontaneous CO<inf>2</inf> activation on cobalt surfaces
ArticleAbstract: Density functional calculations carried out for the interaction of CO2 with the low index faces of CPalabras claves:Autores:de la Peña O'Shea V., Fierro J.L.G., Illas F., Silvia González PérezFuentes:googlescopus