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Issue Date | Title | Author(s) |
---|---|---|
2004 | Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theory | Muñoz Ramos, David; Harrison, N. M.; Illas i Riera, Francesc |
2004 | Ab initio study of the charge order and Zener polaron formation in half-doped manganites | Graaf, Coen de; Sousa Romero, Carmen; Broer, Ria |
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. |
2000 | Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach | Moreira, Ibério de Pinho Ribeiro; Dovesi, R.; Roetti, C.; Saunders, Víctor R.; Orlando, Roberto |
2000 | Electronic structure and magnetic interactions of the spin-chain compounds Ca2CuO3 and Sr2CuO3 | Graaf, Coen de; Illas i Riera, Francesc |
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