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| Issue Date | Title | Author(s) |
|---|---|---|
| 30-Apr-2010 | Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids | Zwijnenburg, M. A.; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 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 |
| 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-Mar-2022 | Effect of oxygen termination on the interaction of first row transition metals with M2C MXenes and the feasibility of single-atom catalysts | Keyhanian, Masoomeh; Farmanzadeh, David; Morales García, Ángel; Illas i Riera, Francesc |
| 18-Jun-2022 | Effect of nanostructuring on the interaction of CO2 with molybdenum carbide nanoparticles | Jiménez-Orozco, Carlos; Figueras, Marc; Flórez, Elizabeth; Viñes Solana, Francesc; Rodriguez, José A.; 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 |
| 20-Jan-2022 | Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides | Mazheika, Aliaksei; Wang, Yang-Gang; Valero Montero, Rosendo; Viñes Solana, Francesc; Illas i Riera, Francesc; Ghiringelli, Luca M.; Levchenko, Sergey V.; Scheffler, Matthias |
| 5-Jul-2023 | How does thickness affect magnetic coupling in Ti-based MXenes | García-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 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. |
| 6-Apr-2022 | Challenges of modeling nanostructured materials for photocatalytic water splitting | Samanta, Bipasa; Morales García, Ángel; Illas i Riera, Francesc; Goga, Nicolae; Anta, Juan Antonio; Calero, Sofia; Beberle-Hütter, Anja; Libisch, Florian; Muñoz-García, Ana B.; Pavone, Michele; Caspary Toroker, Maytal |
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