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| Issue Date | Title | Author(s) |
|---|---|---|
| 2002 | Controlling the spin of metal atoms adsorbed on oxide surfaces: Ni on regular and defective sites of the MgO(001) surface | López, Núria (López Alonso); Paniagua, Juan Carlos; Illas i Riera, Francesc |
| 2006 | First principles calculations of the atomic and electronic structure of F centers in bulk and on the (001) surface of SrTiO3 | Carrasco 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. |
| 2006 | Importance of the embedding environment on the strain within small rings in siliceous materials | Bromley, Stefan Thomas; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Wojdel, Jacek C. |
| 2005 | Interaction of oxygen with ZrC(001) and VC(001): Photoemission and first-principles studies | Rodríguez, José A.; Liu, Ping; Gomes, J.; Nakamura, K.; Viñes Solana, Francesc; Sousa Romero, Carmen; 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 |
| 2007 | First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameter | Loschen, Christoph; Carrasco Rodríguez, Javier; Neyman, Konstantin M.; Illas i Riera, Francesc |
| 2005 | Coherent tunnelling in Cu2+- and Ag2+-doped MgO and CaO: Cu2+ explored through ab initio calculations | García-Fernández, P.; Sousa Romero, Carmen; Aramburu, J. A.; Barriuso, M. T.; Moreno Sereno, Mauricio |
| 2005 | Magnitude of interplane effective parameters in multilayered high-Tc cuprate superconductors | Muñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 2004 | Electronic structure and screening dynamics of ethene on single domain Si(001) from resonant inelastic X-ray scattering. | Fhlisch, A.; Hennies, F.; Wurth, W.; Witkowski, N.; Nagasono, M.; Piancastelli, M. N.; Moskaleva, L. V.; Neyman, Konstantin M.; Rösch, Notker |
| 2002 | Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculations | Muñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
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