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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. |
| 5-Nov-2015 | Structural control over spin localization in triarylmethyls | Alcón Rovira, Isaac; Bromley, Stefan Thomas |
| 3-Apr-2019 | Electronic structure of the α-(BEDT-TTF)2I3 surface by photoelectron spectroscopy | Tisserond, Emilie; Nilforoushan, Niloufar; Caputo, Marco; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Khalil, Lama; Vobornik, Ivana; Fujii, Jun; Das Kumar, Pranab; Mézière, Cécile; Batail, Patrick; Pouget, Jean-Paul; Pasquier, Claude; Marsi, Marino; Monteverde, Miguel |
| 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 |
| 24-Jun-2002 | New analytical (2A',4A') surfaces and theoretical rate constants for the N(4S) + O2 reaction | Sayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel |
| 17-Feb-2023 | Effect of intrinsic point defects on the catalytic and electronic properties of Cu2WS4 single layer: Ab initio calculations | Ouahrani, Taril; Boufatah, Reda M.; Benaissa, Mohammed; Morales Garcia, Angel; Badawi, Michael; Errandonea, Daniel |
| 2-Feb-2023 | Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO2 nanoparticles | Recio, Miguel; Morales Garcia, Angel; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 15-Dec-2018 | Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materials | Roncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro |
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