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Results 1-10 of 95 (Search time: 0.056 seconds).
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Issue DateTitleAuthor(s)
1997Antiferromagnetic exchange interactions from hybrid density functional theoryMartin, Richard L.; 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.
2000Neutral atoms in ionic lattices: Stability and ground state properties of KCl:Ag(0)Aramburu, J. A.; Moreno Sereno, Mauricio; Cabria, I.; Barriuso, M. T.; Sousa Romero, Carmen; Graff, Cohen de; Illas i Riera, Francesc
2000Neutral atoms in ionic lattices: Excited states of KCl:Ag(0)Sousa Romero, Carmen; Graff, Cohen de; Illas i Riera, Francesc; Barriuso, M. T.; Aramburu, J. A.; Moreno Sereno, Mauricio
1999Ab initio study of the magnetic interactions in the spin-ladder compound SrCu2O3Graff, Cohen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L.
2000Theoretical approach to the magnetostructural correlations in spin-Peierls compound CuGeO3Ruiz Sabín, Eliseo; Cano Boquera, Joan; Álvarez, Santiago (Álvarez Reverter); Alemany i Cahner, Pere; Verdaguer, Michel
2004Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theoryMuñoz Ramos, David; Harrison, N. M.; Illas i Riera, Francesc
2003Surface structure and stability of PdZn and PtZn alloys: Density-functional slab model studiesChen, Zhao-Xu; Neyman, Konstantin M.; Gordienko, Aleksey B.; Rösch, Notker
2004MgO/Ag(001) interface structure and STM images from first principlesLópez, Núria (López Alonso); Valeri, S.
2002First-principles study of the neutral molecular metal Ni(tmdt)2.Rovira i Virgili, Carme; Novoa Vide, Juan J.; Mozos Liz, José Luis de los; Ordejón, Pablo; Canadell, Enric, 1950-