Showing results 49 to 68 of 197
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| Issue Date | Title | Author(s) |
| 2002 | Derivation of spin Hamiltonians from the exact Hamiltonian: Application to systems with two unpaired electrons per magnetic site | Moreira, Ibério de Pinho Ribeiro; Suaud, N.; Guihery, N.; Malrieu, J. P.; Caballol Lorenzo, Rosa; Bofill i Villà, Josep M.; Illas i Riera, Francesc |
| 27-Sep-2017 | Desenvolupament de models per nanopartícules de TiO2 i ZnO en fotocatàlisis | Lamiel Garcia, Josep Oriol |
| 19-Apr-2019 | Differential many-body effects for initial and core-ion states: impact on XPS spectra | Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 15-Nov-2018 | Diversity of adsorbed hydrogen on the TiC (001) surface at high coverages | Piñero, Juan José; Ramírez, Pedro J.; Bromley, Stefan Thomas; Illas i Riera, Francesc; Viñes Solana, Francesc; Rodríguez, José A. |
| 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 |
| 3-Jan-2008 | Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces | Carrasco Rodríguez, Javier; Illas i Riera, Francesc; López, Núria (López Alonso) |
| 27-Feb-2014 | Effect of Dimensionality and Polymorphism on the properties of ZnO | Demiroglu, Ilker |
| 12-Apr-2019 | Effect of electron correlation in the decomposition of core level binding energy shifts into initial and final state contributions | Figueras Valls, Marc; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 2002 | Effect of Fock exchange on the electronic structure and magnetic coupling in NiO | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
| 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 |
| 15-Mar-2022 | Effect of oxygen termination on the interaction of first row transition metals with M2C MXenes and the feasibility of single-atom catalysts | Keyhanian, Masoomeh; Farmanzadeh, David; Morales García, Ángel; Illas i Riera, Francesc |
| 1-Aug-2016 | Effect of size and structure on the ground-state and excited-state electronic structure of TiO2 nanoparticles | Cho, Daeheum; Ko, Kyoung Chul; Lamiel Garcia, Josep Oriol; Bromley, Stefan Thomas; Lee, Jin Yong; Illas i Riera, Francesc |
| 1-May-2016 | Effect of the exchange-correlation potential on the transferability of Bronsted-Evans-Polanyi relationships in heterogeneous catalysis | Fajin, Jose L. C.; Viñes Solana, Francesc; Cordeiro, M. Natália D. S.; Illas i Riera, Francesc; Gomes, José R. B. |
| 16-May-2017 | Effective and highly selective CO generation from CO2 using a polycrystalline α‑Mo2C catalyst | Liu, Xinayun; Kunkel, Christian; Ramírez de la Piscina, Pilar; Homs Martí, Narcís; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 2002 | Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculations | Muñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 2000 | Electric field effects on the ionic-neutral curve crossing of alkali halide molecules | Sousa Romero, Carmen; Domínguez-Ariza, David; Graaf, Coen de; Illas i Riera, Francesc |
| 2004 | Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theory | Muñoz Ramos, David; Harrison, N. M.; Illas i Riera, Francesc |
| 1-Sep-2019 | Electronic properties of realistic anatase TiO2 nanoparticles from G(0)W(0) calculations on a Gaussian and plane waves scheme | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 2000 | Electronic structure and magnetic interactions of the spin-chain compounds Ca2CuO3 and Sr2CuO3 | Graaf, Coen de; Illas i Riera, Francesc |
| 2003 | Electronic structure of a neutral oxygen vacancy in SrTiO3 | Ricci, Davide; Bano, Giuseppe; Pacchioni, Gianfranco; Illas i Riera, Francesc |
