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Issue DateTitleAuthor(s)
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
2003Bonding of gold nanoclusters to oxygen vacancies on rutile TiO2(110)Wahlstrom, E.; López, Núria (López Alonso); Schaub, R.; Tostrup, P.; Rønnau, A.; Africh, C.; Nørskov, Jens K.; Laegsgaard, E.; Besenbacher, F.
2001Oxygen vacancies as active sites for water dissociation on rutile TiO2(110)Schaub, R.; Thostrup, P.; López, Núria (López Alonso); Laegsgaard, E.; Stengsgaard, I.; Nørskov, Jens K.; Besenbacher, F.
2005First-principles study of the optical transitions of F centersin the bulk and on the (0001) surface of (alpha)-Al2O3Carrasco Rodríguez, Javier; López, Núria (López Alonso); Sousa Romero, Carmen; Illas i Riera, Francesc
2004MgO/Ag(001) interface structure and STM images from first principlesLópez, Núria (López Alonso); Valeri, S.
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.
2002Adsoption-induced restructuring of gold nanochainsBahn, S. R.; López, Núria (López Alonso); Norskov, J. K.; Jacobsen, K. W.
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