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Results 41-50 of 181 (Search time: 0.03 seconds).
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Issue DateTitleAuthor(s)
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.
1997Ab initio theoretical comparative study of magnetic coupling in KNiF3 and K2NiF4sMoreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
1996Origin of magnetic coupling in La2CuO4Casanovas Salas, Jordi; Rubio Martínez, Jaime; Illas i Riera, Francesc
1995Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111)Clotet, A.; Ricart, Josep M.; Casanovas Salas, Jordi; Illas i Riera, Francesc; San Fabián, E.; Moscardó, F.
1995Origin of the vibrational shift of CO chemisorbed on Pt(111)Illas i Riera, Francesc; Zurita, S.; Rubio Martínez, Jaime; Márquez Cruz, Antonio Marcial
2000Electronic structure and magnetic interactions of the spin-chain compounds Ca2CuO3 and Sr2CuO3Graaf, Coen de; Illas i Riera, Francesc
2000Neutral atoms in ionic lattices: Excited states of KCl:Ag(0)Sousa Romero, Carmen; Graaf, Coen de; Illas i Riera, Francesc; Barriuso, M. T.; Aramburu, J. A.; Moreno Sereno, Mauricio
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; Graaf, Coen de; Illas i Riera, Francesc
2000Core exciton energies of bulk MgO, Al2O3, and SiO2 from explicitly correlated ab initio cluster model calculationsGraaf, Coen de; Illas i Riera, Francesc
1999Ab initio study of the magnetic interactions in the spin-ladder compound SrCu2O3Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L.