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Combined Experimental and Theoretical Study of Methyl Acetoacetate Adsorption on Ni{100}
ArticleAbstract: The enantioselective hydrogenation of methyl acetoacetate (MAA) over modified Ni-based catalysts isPalabras claves:Autores:Bennett R.A., Bignardi L., Grau-Crespo R., Held G., Jorge Ontaneda, Tsaousis P.Fuentes:scopusAdsorption of methyl acetoacetate at Ni{111}: Experiment and theory
ArticleAbstract: The hydrogenation of methyl acetoacetate (MAA) over modified Ni catalysts is one of the most importaPalabras claves:Autores:Cornish A., Grau-Crespo R., Held G., Jorge Ontaneda, Nicklin R.E.J., Roldan A.Fuentes:scopusGeometry of dopamine adsorption on rutile (110) surface
ArticleAbstract: Density functional theory (DFT) and generalized gradient approximation (GGA) have been employed to sPalabras claves:Adsorption, band-gap narrowing, DFT + U, dopamine, TiO rutile 2Autores:A. Stashans, Castillo P., D. Castillo Malla, Darwin Patricio Castillo Malla, J. Ontaneda Rojas, Jorge Ontaneda, Stashans A.Fuentes:googlerraaescopusElectronic Structure of Pd Multilayers on Re(0001): The Role of Charge Transfer
ArticleAbstract: Understanding the origin of the properties of metal-supported metal thin films is important for thePalabras claves:Autores:Bennett R.A., Grau-Crespo R., Jorge OntanedaFuentes:scopusDopamine Adsorption on Rutile TiO<inf>2</inf>(110): Geometry, Thermodynamics, and Core-Level Shifts from First Principles
ArticleAbstract: The modification of the rutile TiO2(110) surface with dopamine represents the best example of the fuPalabras claves:Autores:Fernando Javier Torres, Joana Bustamante, Jorge Ontaneda, Noemi Cadmen, Richard RiveraFuentes:scopusDouble-well potential energy surface in the interaction between h-BN and Ni(111)
ArticleAbstract: Density functional theory calculations with non-local correlation functionals, properly accounting fPalabras claves:Autores:Grau-Crespo R., Illas F., Jorge Ontaneda, Viñes F.Fuentes:scopusPolaron-Adsorbate Coupling at the TiO<inf>2</inf>(110)-Carboxylate Interface
ArticleAbstract: Understanding how adsorbates influence polaron behavior is of fundamental importance in describing tPalabras claves:Autores:Fielding H.H., Grau-Crespo R., Jorge Ontaneda, Selloni A., Tanner A.J., Thornton G., Wen B., Zhang Y.Fuentes:scopus