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| Issue Date | Title | Author(s) |
|---|---|---|
| 10-Jan-2018 | Assessing GW approaches for predicting core level binding energies | van Setten, Michiel J.; Costa Sala, Ramon; Viñes Solana, Francesc; 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 |
| 1-Jan-2018 | Jacob's Ladder as Sketched by Escher: assessing the performance of broadly used density functionals on transition metal surface properties | Vega Dominguez, Lorena; Ruvireta Jurado, Judit; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 28-Feb-2018 | CO2 abatement using two-dimensional MXene carbides | Morales García, Ángel; Fernández Fernández, Adrián; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 20-Jun-2018 | Robustness of surface activity electronic structure-based descriptors of transition metals | Vega Dominguez, Lorena; Martínez, Biel; Viñes Solana, Francesc; 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 |
| 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 |
| 7-Apr-2018 | On the prediction of core level binding energies in molecules, surfaces and solids | Viñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 5-May-2018 | General concepts, assumptions, drawbacks, and misuses in kinetic Monte Carlo and microkinetic modeling simulations applied to computational heterogeneous catalysis | Prats Garcia, Hèctor; Illas i Riera, Francesc; Sayós Ortega, Ramón |