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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, N.; Paniagua, Juan Carlos; Illas i Riera, Francesc
1993Towards and ab initio description of magnetism in ionic solidsIllas i Riera, Francesc; Casanovas Salas, Jordi; García Bach, Ma. de los Ángeles; Caballol Lorenzo, Rosa; Castell, O.
2006First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductorsMoreira, Ibério de Pinho Ribeiro; Calzado, C. J.; Malrieu, J. P.; Illas i Riera, Francesc
2007Ultralow-density nanocage-based metal-oxide polymorphsCarrasco Rodríguez, Javier; Illas i Riera, Francesc; Bromley, Stefan Thomas
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
2000Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compoundsMuñoz Ramos, David; Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro
1997Antiferromagnetic exchange interactions from hybrid density functional theoryMartin, Richard L.; Illas i Riera, Francesc
May-1991X-ray photoelectron spectroscopy of oxygen adsorbates on Al(111): Theory experimentBagus, Paul S.; Parmigiani, Fulvio; Polzonetti, G.; Illas i Riera, Francesc; Brundle, C. R.
2004Extent and limitations of density functional theory in describing magnetic systemsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M.