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| Issue Date | Title | Author(s) |
|---|---|---|
| 28-Jul-2017 | Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk | Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 3-Mar-2021 | Understanding the nature and location of hydroxyl groups on hydrated titania nanoparticles | Mino, Lorenzo; Morales Garcia, Angel; Bromley, Stefan Thomas; Illas i Riera, Francesc |
| 2020 | Limitations of the equivalent core model for understanding core-level spectroscopies | Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 3-Jan-2020 | Investigating the character of excited states in TiO2 nanoparticles from topological descriptors: implications for photocatalysis | Valero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc |
| 10-Jan-2018 | Assessing GW approaches for predicting core level binding energies | van Setten, Michiel J.; Costa Sala, Ramon; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 4-Feb-2019 | Subsurface carbon: a general feature of noble metals | Piqué, Oriol; Koleva, Iskra Z.; Viñes Solana, Francesc; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Illas i Riera, Francesc |
| 9-Aug-2017 | An empirical, yet practical way to predict the band gap in solids by using density functional band structure calculations | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 13-Mar-2019 | Double-well potential energy surface in the interaction between h-BN and Ni(111) | Ontaneda, Jorge; Viñes Solana, Francesc; Illas i Riera, Francesc; Grau-Crespo, Ricardo |
| 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 |
| 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 |
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