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Issue Date | Title | Author(s) |
---|---|---|
Jun-2017 | Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case | Pueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc |
15-Nov-2018 | Diversity of adsorbed hydrogen on the TiC (001) surface at high coverages | Piñero, Juan José; Ramírez, Pedro J.; Bromley, Stefan Thomas; Illas i Riera, Francesc; Viñes Solana, Francesc; Rodríguez, José A. |
18-Jan-2018 | Matildite Contact with Media: First-Principles Study of AgBiS2 Surfaces and Nanoparticle Morphology | Viñes Solana, Francesc; Konstantatos, Gerasimos; Illas i Riera, Francesc |
8-Aug-2018 | Tuning transition metal carbide activity by surface metal alloying: a case study on CO2 capture and activation | López Berbel, Martí; Broderick, Luke; Carey, John J.; Viñes Solana, Francesc; Nolan, Michael; Illas i Riera, Francesc |
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