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| Issue Date | Title | Author(s) |
|---|---|---|
| 6-Jan-2014 | Remarks on the exact energy functional for fermions: an analysis using the Löwdin partitioning technique | Caballero Puig, Marc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M. |
| 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 |
| 9-Aug-2020 | Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational study | Prats Garcia, Hèctor; Alonso Benito, Gerard; Sayós Ortega, Ramón; Gamallo Belmonte, Pablo |
| 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 |
| 5-May-2005 | A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides | Viñes Solana, Francesc; Sousa Romero, Carmen; Liu, Ping; Rodríguez, José A.; Illas i Riera, Francesc |
| 17-Sep-2009 | The effect of local environment on photoluminescence: a TD-DFT study of silanone groups on the surface of silica nanostructures | Zwijnenburg, M. A.; Sokol, A. A.; Sousa Romero, Carmen; Bromley, Stefan Thomas |
| 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 |
| 8-Aug-2023 | Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy | Bendaoudi, L.; Ouahrani, T.; Daouli, A.; Rerbal, B.; Boufatah, R. M.; Morales García, Ángel; Franco, R.; Bedrane, Z.; Badawi, M.; Errandonea, D. |
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- 68 2010 - 2019
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