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Issue DateTitleAuthor(s)
2002Controlling the spin of metal atoms adsorbed on oxide surfaces: Ni on regular and defective sites of the MgO(001) surfaceLópez, Núria (López Alonso); Paniagua, Juan Carlos; 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.
2003Adsorption energy and spin state of first-row transition metals adsorbed on MgO(100)Markovits, A.; Paniagua, Juan Carlos; López, Núria (López Alonso); Minot, C.; Illas i Riera, Francesc
2004First principles analysis of the stability and diffusion of oxygen vacancies in meetal oxidesCarrasco Rodríguez, Javier; López, Núria (López Alonso); Illas i Riera, Francesc
2004When Langmuir is too simple: H2 dissociation on Pd(111) at high coverageLópez, Núria (López Alonso); Lodziana, Zbigniew; Illas i Riera, Francesc; Salmeron, Miquel
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
2004Theoretical modeling of photon and electron-stimulated Na and K desorption from SiO2Domínguez-Ariza, David; López, Núria (López Alonso); Illas i Riera, Francesc; Pacchioni, Gianfranco; Madey, Theodore E.
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)