Showing results 106 to 125 of 199
< previous
next >
Issue Date | Title | Author(s) |
27-May-2016 | Magnetic coupling constants in three electrons three centres problems from effective Hamiltonian theory and validation of broken symmetry based approaches | Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
1999 | Magnetic coupling in the weac ferromagnet CuF2 | Reinhardt, P.; Habas, M. P.; Dovesi, R.; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
2002 | Magnetic structure of Li2CuO2: From ab initio calculations to macroscopic simulations | Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Iglesias, Òscar; Labarta, Amílcar |
2005 | Magnitude of interplane effective parameters in multilayered high-Tc cuprate superconductors | Muñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
2000 | Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2 | Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; 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 |
19-Dec-2016 | Matildite versus schapbachite: First-principles investigation of the origin of photoactivity in AgBiS2 | Viñes Solana, Francesc; Bernechea, María; Konstantatos, Gerasimos; Illas i Riera, Francesc |
1993 | Measures of ionicity of alkaline-earth oxides from the analysis of ab initio cluster wave functions | Pacchioni, Gianfranco; Sousa Romero, Carmen; Illas i Riera, Francesc; Parmigiani, Fulvio; Bagus, Paul S. |
22-Apr-2020 | Mechanisms of carbon dioxide reduction on strontium titanate perovskites | Terranova, Umberto; Viñes Solana, Francesc; Leeuw, Nora H. de; Illas i Riera, Francesc |
2015 | Methane capture at room temperature: adsorption on cubic d-MoC and orthorhombic b-Mo2C molybdenum carbide (001) surfaces | Posada Pérez, Sergio; Politi, José Roberto S.; Viñes Solana, Francesc; Illas i Riera, Francesc |
25-Mar-2019 | Monte Carlo based methods applied to heterogeneous catalysis and gas separation | Prats Garcia, Hèctor |
13-Mar-2015 | Morphology effects in photoactive ZnO nanostructures: photooxidative activity of polar surfaces | Iglesias-Juez, Ana; Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Fernandez-Garcia, Marcos; Illas i Riera, Francesc |
7-May-2020 | Morphology of TiO2 nanoparticles as fingerprint for the transient absorption spectra: implications for photocatalysis | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
10-Nov-2023 | Multiscale modelling of CO2 hydrogenation reactions on Ni-based catalysts | Lozano Reis, Pablo |
21-Jun-2023 | MXene Materials for CO(2) Capture and Transformation | Jurado Mañas, Anabel |
16-Sep-2019 | MXenes as promising catalysts for water dissociation | Gouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc; Gomes, José R. B. |
14-May-2020 | MXenes atomic layer stacking phase transitions and their chemical activity consequences | Gouveia, José D.; Viñes Solana, Francesc; Illas i Riera, Francesc; Gomes, José R. B. |
1-Dec-2022 | MXenes à la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers | Gouveia, J.D.; Morales García, Ángel; Viñes Solana, Francesc; Gomes, J.R.B.; Illas i Riera, Francesc |
14-Dec-2021 | Nanostructured transition metal carbides as potential catalysts for greenhouse gases conversion | Figueras Valls, Marc |
1995 | Nature of bonding of alkali metals to Si(111) | Clotet, A.; Ricart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc |