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| Issue Date | Title | Author(s) |
|---|---|---|
| 2002 | The interaction of Pd with (alpha)-AI2O3(0001): A case study of modeling the metal-oxide interface on complex substrates | Gomes, José R. B.; Illas i Riera, Francesc; Cruz Hernández, N.; Márquez Cruz, Antonio Marcial; Sanz, J. F. |
| 2003 | The role of dynamical polarization of the ligand-to-metal charge transfer excitations in the ab initio determination of effective exchange parameters | Gellé, Alain; Munzarová, Markéta L.; Lepetit, Marie-Bernadette; Illas i Riera, Francesc |
| 2003 | Adsorption 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 |
| 2002 | Rigorous characterization of oxygen vacancies in ionic oxides | Mori-Sánchez, P.; Recio, J. M.; Silvi, B.; Sousa Romero, Carmen; Martín Pendás, A.; Luaña, Víctor; Illas i Riera, Francesc |
| 2000 | Accurate prediction of large antiferromagnetic interactions in High-Tc HgBa2Can-1CunO2n+2+delta (n = 2,3) superconductor parent compounds | Muñoz Ramos, David; Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro |
| 2004 | First principles analysis of the stability and diffusion of oxygen vacancies in meetal oxides | Carrasco Rodríguez, Javier; López, Núria (López Alonso); Illas i Riera, Francesc |
| 2004 | When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage | López, Núria (López Alonso); Lodziana, Zbigniew; Illas i Riera, Francesc; Salmeron, Miquel |
| 2006 | First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors | Moreira, Ibério de Pinho Ribeiro; Calzado, C. J.; Malrieu, J. P.; Illas i Riera, Francesc |
| 2007 | Ultralow-density nanocage-based metal-oxide polymorphs | Carrasco Rodríguez, Javier; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 2002 | Effect of Fock exchange on the electronic structure and magnetic coupling in NiO | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
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