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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 |
| 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 |
| 5-Apr-2018 | Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes | Costa Sala, Ramon; Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 30-Apr-2010 | Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids | Zwijnenburg, M. A.; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 21-Jul-2010 | Prospective role of multicenter bonding for efficient and selective hydrogen transport | Stradi, Daniele; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 2-Apr-2015 | Conditional Born-Oppenheimer dynamics: quantum dynamics simulations for the model porphine | Albareda, Guillermo; Bofill i Villà, Josep M.; Tavernelli, Ivano; Huarte Larrañaga, Fermín; Illas i Riera, Francesc; Rubio, Angel |
| 1-Feb-2016 | The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activity | Posada Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; Stacchiola, Dario J.; Viñes Solana, Francesc; Liu, Ping; Illas i Riera, Francesc; Rodríguez, José A. |
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