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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.
2007First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameterLoschen, Christoph; Carrasco Rodríguez, Javier; Neyman, Konstantin M.; Illas i Riera, Francesc
2005Coherent tunnelling in Cu2+- and Ag2+-doped MgO and CaO: Cu2+ explored through ab initio calculationsGarcía-Fernández, P.; Sousa Romero, Carmen; Aramburu, J. A.; Barriuso, M. T.; Moreno Sereno, Mauricio
2006First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductorsMoreira, Ibério de Pinho Ribeiro; Calzado, C. J.; Malrieu, J. P.; Illas i Riera, Francesc
1993Towards and ab initio description of magnetism in ionic solidsIllas i Riera, Francesc; Casanovas Salas, Jordi; García Bach, Ma. de los Ángeles; Caballol Lorenzo, Rosa; Castell, O.
1996Electronic structure and bonding in skutterudite-type phosphidesLlunell Marí, Miquel; Alemany i Cahner, Pere; Álvarez, Santiago (Álvarez Reverter); Zhukov, Vladlen P.; Vernes, Andreas
1997Absence of collective effects in Heisenberg systems with localized magnetic momentsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Graaf, Coen de; Castell, O.; Casanovas Salas, Jordi