Browsing by Author Carrasco Rodríguez, Javier

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Showing results 1 to 8 of 8
Issue DateTitleAuthor(s)
3-Jan-2008Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfacesCarrasco Rodríguez, Javier; Illas i Riera, Francesc; López, Núria (López Alonso)
2004First principles analysis of the stability and diffusion of oxygen vacancies in meetal oxidesCarrasco Rodríguez, Javier; López, Núria (López Alonso); Illas i Riera, Francesc
2006First principles calculations of the atomic and electronic structure of F centers in bulk and on the (001) surface of SrTiO3Carrasco Rodríguez, Javier; Illas i Riera, Francesc; López, Núria (López Alonso); Kotomin, E. A.; Zhukovskii, Yu. F.; Evarestov, R. A. (Robert Aleksandrovich); Mastrikov, Yu. A.; Piskunov, S.; Maier, J.
2007First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameterLoschen, Christoph; Carrasco Rodríguez, Javier; Neyman, Konstantin M.; Illas i Riera, Francesc
2005First-principles study of the optical transitions of F centers in the bulk and on the (0001) surface of (alpha)-Al2O3Carrasco Rodríguez, Javier; López, Núria (López Alonso); Sousa Romero, Carmen; Illas i Riera, Francesc
21-Aug-2006Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculationsCarrasco Rodríguez, Javier; Sousa Romero, Carmen; Illas i Riera, Francesc; Sushko, P.V.; Shluger, A.L.
2004Theoretical study of bulk and surface oxygen and aluminium vacancies in (alpha)-Al2O3Carrasco Rodríguez, Javier; Gomes, José R. B.; Illas i Riera, Francesc
2007Ultralow-density nanocage-based metal-oxide polymorphsCarrasco Rodríguez, Javier; Illas i Riera, Francesc; Bromley, Stefan Thomas