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Issue Date | Title | Author(s) |
---|---|---|
2003 | Electronic structure of a neutral oxygen vacancy in SrTiO3 | Ricci, Davide; Bano, Giuseppe; Pacchioni, Gianfranco; Illas i Riera, Francesc |
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 | Ab initio periodic approach to electronic structure and magnetic exchange in A2CUO2X2 (A=Ca,Sr and X=F,Cl) High-Tc superconductor parent compounds | Moreira, Ibério de Pinho Ribeiro; Dovesi, R. |