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| Issue Date | Title | Author(s) |
|---|---|---|
| 1-Jul-2015 | Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of 𝛿-Bi2O3 | Galván, D.H.; Núñez-González, R.; Rangel, R.; Alemany i Cahner, Pere; Posada-Amarillas, A. |
| 21-Mar-2019 | Fermi surface properties of the bifunctional organic metal κ-(BETS)2Mn[N(CN)2]3 near the metal-insulator transition | Zverev, V.N.; Biberacher, W.; Oberbauer, S.; Sheikin, I.; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Kartsovnik M.V. |
| 2008 | Classical dynamics study of atomic oxygen sticking on the β-cristobalite (100) surface | Arasa Cid, Carina; Busnengo, H. F.; Salin, A.; Sayós Ortega, Ramón |
| 30-Apr-2020 | Weak localization competes with the quantum oscillations in a natural electronic superlattice: the case of Na1.5(PO2)4(WO3)20 | Kolincio, K. K.; Pérez, O.; Canadell, Enric, 1950-; Alemany i Cahner, Pere; Duverger-Nédellec, E.; Minelli, A.; Bosak, A.; Pautrat, A. |
| 14-Feb-2023 | Theoretical Analysis of Magnetic Coupling in the Ti2C Bare MXene | García-Romeral, Néstor; Morales-García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 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 |
| 6-Feb-2022 | Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational, and electronic properties of wolframite-type ScTaO4 at ambient conditions | Karaouzène, Lotfi I.; Ouahrani, Tarik; Morales García, Ángel; Errandonea, Daniel |
| 29-Sep-2023 | Theoretical study of electrocatalytic properties of low-dimensional freestanding PbTiO3 for hydrogen evolution reactions | Ouahrani, Tarik; Boufatah, Reda M.; Bendaoudi, Loubna; Bedrane, Zeyneb; Morales García, Ángel; Errandonea, Daniel |
| 11-Aug-2022 | Carbon-doped anatase titania nanoparticles: similarities and differences with respect to bulk and extended surface models | Remesal, Elena R.; Morales García, Ángel |
| 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 |
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