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Issue Date | Title | Author(s) |
---|---|---|
1999 | Magnetic coupling in the weac ferromagnet CuF2 | Reinhardt, P.; Habas, M. P.; Dovesi, R.; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
1999 | Ab Initio study of magnetic interactions in the KCuF3 and K2CuF4 low-dimensional Systems | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
1999 | Local character of magnetic coupling in ionic solids | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Calzado, C. J.; Sanz, J. F.; Malrieu, J. P.; Ben Amor, N.; Maynau, D. |
1997 | Absence of collective effects in Heisenberg systems with localized magnetic moments | Illas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Graaf, Coen de; Castell, O.; Casanovas Salas, Jordi |
3-Aug-2016 | Single oxygen vacancies of (TiO2)35 as a prototype of reduced nanoparticle: implication for photocatalytic activity | Kim, Sunkyung; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc |
1-Mar-2017 | Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides | Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc |
16-Jun-2016 | Highly active Au/d-MoC and Cu/d-MoC catalysts for the conversion of CO2: The metal/C ratio as a key factor defining activity, selectivity and stability | Posada Pérez, Sergio; Ramírez, Pedro J.; Evans, Jaime; Viñes Solana, Francesc; Liu, Ping; Illas i Riera, Francesc; Rodríguez, José A. |
29-Jan-2017 | Predicting core level binding energies shifts: suitability of the projector augmented wave approach as implemented in VASP | Pueyo Bellafont, Noèlia; Viñes Solana, Francesc; Hieringer, Wolfgang; Illas i Riera, Francesc |
1-Feb-2017 | Adding pieces to the CO/Pt(111) puzzle: the role of dispersion | Janthon, Patanachai; Viñes Solana, Francesc; Sirijaraensre, Jakkapan; Limtrakul, Jumras; Illas i Riera, Francesc |
19-Dec-2016 | Matildite versus schapbachite: First-principles investigation of the origin of photoactivity in AgBiS2 | Viñes Solana, Francesc; Bernechea, María; Konstantatos, Gerasimos; Illas i Riera, Francesc |
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