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Issue DateTitleAuthor(s)
2004Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theoryMuñoz Ramos, David; Harrison, N. M.; Illas i Riera, Francesc
2004Ab initio study of the charge order and Zener polaron formation in half-doped manganitesGraaf, Coen de; Sousa Romero, Carmen; Broer, Ria
2003Ab initio periodic approach to electronic structure and magnetic exchange in A2CUO2X2 (A=Ca,Sr and X=F,Cl) High-Tc superconductor parent compoundsMoreira, Ibério de Pinho Ribeiro; Dovesi, R.
2000Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approachMoreira, Ibério de Pinho Ribeiro; Dovesi, R.; Roetti, C.; Saunders, Víctor R.; Orlando, Roberto
2000Electronic structure and magnetic interactions of the spin-chain compounds Ca2CuO3 and Sr2CuO3Graaf, Coen de; Illas i Riera, Francesc
1999Magnetic coupling in the weac ferromagnet CuF2Reinhardt, P.; Habas, M. P.; Dovesi, R.; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
1999Ab Initio study of magnetic interactions in the KCuF3 and K2CuF4 low-dimensional SystemsMoreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc