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| Issue Date | Title | Author(s) |
|---|---|---|
| 2016 | On the hydrogen adsorption and dissociation on Cu surfaces and nanorows | Álvarez Falcón, Leny; Viñes Solana, Francesc; Notario Estévez, Almudena; Illas i Riera, Francesc |
| 2015 | Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchange | Notario Estévez, Almudena; Kozlov, Sergey; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 6-Dec-2016 | Kinetic Monte Carlo simulation of the water gas shift reaction on Cu(111) from density functional theory based calculations | Prats Garcia, Hèctor; Álvarez Falcón, Leny; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| 15-Dec-2015 | Unexpectedly large impact of van der Waals interactions on the description of heterogeneous catalyzed reactions: the water gas shift reaction on Cu(321) as a case example | Prats Garcia, Hèctor; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Illas i Riera, Francesc |
| 7-Nov-2019 | Thickness biased capture of CO2 on carbide MXenes | Morales García, Ángel; Mayans-Llorach, Marc; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 1-Feb-2018 | Properties of single oxygen vacancies on a realistic (TiO2)(84) nanoparticle: a challenge for density functionals | Morales García, Ángel; Lamiel Garcia, Josep Oriol; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 3-Apr-2019 | Room temperature methane capture and activation by Ni clusters supported on TiC(001): effects of metal-carbide interactions on the cleavage of the C-H bond | Prats Garcia, Hèctor; Gutiérrez, Ramón A.; Piñero, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc |
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