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Results 1-10 of 33 (Search time: 0.057 seconds).
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Issue DateTitleAuthor(s)
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.
2004First principles analysis of the stability and diffusion of oxygen vacancies in meetal oxidesCarrasco Rodríguez, Javier; López, Núria (López Alonso); Illas i Riera, Francesc
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.
2000Electronic structure and magnetic interactions of the spin-chain compounds Ca2CuO3 and Sr2CuO3Graff, Cohen de; Illas i Riera, Francesc
1997Electronic structure and properties of Cu2ORuiz Sabín, Eliseo; Álvarez, Santiago (Álvarez Reverter); Alemany i Cahner, Pere; Evarestov, R. A. (Robert Aleksandrovich)
1996Electronic structure and bonding in skutterudite-type phosphidesLlunell Marí, Miquel; Alemany i Cahner, Pere; Álvarez, Santiago (Álvarez Reverter); Zhukov, Vladlen P.; Vernes, Andreas
2000Core exciton energies of bulk MgO, Al2O3, and SiO2 from explicitly correlated ab initio cluster model calculationsGraff, Cohen 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
1997Absence of collective effects in Heisenberg systems with localized magnetic momentsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Graaf, Cohen de; Castell, O.; Casanovas Salas, Jordi