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Issue DateTitleAuthor(s)
2006Importance of the embedding environment on the strain within small rings in siliceous materialsBromley, Stefan Thomas; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Wojdel, Jacek C.
2002Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculationsMuñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
2002Effect of Fock exchange on the electronic structure and magnetic coupling in NiOMoreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L.
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
2004Extent and limitations of density functional theory in describing magnetic systemsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M.