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Results 11-20 of 23 (Search time: 0.013 seconds).
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Issue Date
Title
Author(s)
2005
First-principles study of the optical transitions of F centers in the bulk and on the (0001) surface of (alpha)-Al2O3
Carrasco Rodríguez, Javier; López, Núria (López Alonso); Sousa Romero, Carmen; Illas i Riera, Francesc
2003
Electronic structure of a neutral oxygen vacancy in SrTiO3
Ricci, Davide; Bano, Giuseppe; Pacchioni, Gianfranco; Illas i Riera, Francesc
2004
Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theory
Muñoz Ramos, David; Harrison, N. M.; Illas i Riera, Francesc
2004
MgO/Ag(001) interface structure and STM images from first principles
López, Núria (López Alonso); Valeri, S.
2004
Ab initio study of the charge order and Zener polaron formation in half-doped manganites
Graaf, Coen de; Sousa Romero, Carmen; Broer, Ria
2002
First-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-
2003
Ab initio periodic approach to electronic structure and magnetic exchange in A2CUO2X2 (A=Ca,Sr and X=F,Cl) High-Tc superconductor parent compounds
Moreira, Ibério de Pinho Ribeiro; Dovesi, R.
2000
Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach
Moreira, Ibério de Pinho Ribeiro; Dovesi, R.; Roetti, C.; Saunders, Víctor R.; Orlando, Roberto
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.
2000
Electronic structure and magnetic interactions of the spin-chain compounds Ca2CuO3 and Sr2CuO3
Graaf, Coen de; Illas i Riera, Francesc
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Author
15
Illas i Riera, Francesc
6
Moreira, Ibério de Pinho Ribeiro
5
Carrasco Rodríguez, Javier
4
López, Núria (López Alonso)
4
Sousa Romero, Carmen
.
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Subject
23
Estructura electrònica
6
Teoria del funcional de densitat
5
Density functional theory
5
Magnetic properties
5
Propietats magnètiques
.
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Date issued
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2007
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2006
3
2005
7
2004
3
2003
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