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Issue Date | Title | Author(s) |
---|---|---|
2004 | Extent and limitations of density functional theory in describing magnetic systems | Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M. |
2003 | Ground- and excited-state properties of M-center oxygen vacancy aggregates in the bulk and the surface of MgO | Domínguez-Ariza, David; Sousa Romero, Carmen; Illas i Riera, Francesc; Ricci, Davide; Pacchioni, Gianfranco |
2003 | Electronic structure of a neutral oxygen vacancy in SrTiO3 | Ricci, Davide; Bano, Giuseppe; Pacchioni, Gianfranco; Illas i Riera, Francesc |
2002 | Adsoption-induced restructuring of gold nanochains | Bahn, S. R.; López, Núria (López Alonso); Norskov, J. K.; Jacobsen, K. W. |
2004 | Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theory | Muñoz Ramos, David; Harrison, N. M.; Illas i Riera, Francesc |
2003 | Surface structure and stability of PdZn and PtZn alloys: Density-functional slab model studies | Chen, Zhao-Xu; Neyman, Konstantin M.; Gordienko, Aleksey B.; Rösch, Notker |
2004 | MgO/Ag(001) interface structure and STM images from first principles | López, Núria (López Alonso); Valeri, S. |
2002 | First-principles study of the neutral molecular metal Ni(tmdt)2. | Rovira i Virgili, Carme; Novoa Vide, Juan J.; Mozos Liz, José Luis de los; Ordejón, Pablo; Canadell, Enric, 1950- |
1997 | Antiferromagnetic exchange interactions from hybrid density functional theory | Martin, Richard L.; Illas i Riera, Francesc |
1999 | Ab initio study of the magnetic interactions in the spin-ladder compound SrCu2O3 | Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
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