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Issue Date | Title | Author(s) |
---|---|---|
2004 | Extent and limitations of density functional theory in describing magnetic systems | Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M. |
1997 | Ab initio theoretical comparative study of magnetic coupling in KNiF3 and K2NiF4s | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
1996 | Origin of magnetic coupling in La2CuO4 | Casanovas Salas, Jordi; Rubio Martínez, Jaime; Illas i Riera, Francesc |
1995 | Performance 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. |
1995 | Origin of the vibrational shift of CO chemisorbed on Pt(111) | Illas i Riera, Francesc; Zurita, S.; Rubio Martínez, Jaime; Márquez Cruz, Antonio Marcial |
2000 | Electronic structure and magnetic interactions of the spin-chain compounds Ca2CuO3 and Sr2CuO3 | Graaf, Coen de; Illas i Riera, Francesc |
2000 | Neutral 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 |
2000 | Neutral 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 |
2000 | Core exciton energies of bulk MgO, Al2O3, and SiO2 from explicitly correlated ab initio cluster model calculations | Graaf, Coen de; Illas i Riera, Francesc |
1999 | Ab initio study of the magnetic interactions in the spin-ladder compound SrCu2O3 | Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
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