Showing results 121 to 140 of 197
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| Issue Date | Title | Author(s) |
| 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. |
| 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 |
| 2000 | Neutral atoms in ionic lattices: Excited states of KCl:Ag(0) | Sousa Romero, Carmen; Graaf, Coen de; Illas i Riera, Francesc; Barriuso, M. T.; Aramburu, J. A.; Moreno Sereno, Mauricio |
| 2000 | Neutral atoms in ionic lattices: Stability and ground state properties of KCl:Ag(0) | Aramburu, J. A.; Moreno Sereno, Mauricio; Cabria, I.; Barriuso, M. T.; Sousa Romero, Carmen; Graaf, Coen de; Illas i Riera, Francesc |
| 1986 | Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystals | Barone, Vincenzo; Lelj, Francesco; Russo, Nino; Toscano, Marirosa; Illas i Riera, Francesc; Rubio Martínez, Jaime |
| 2001 | On the accurate prediction of the optical absorption energy of F-centers inMgO from explicitly correlated ab initio cluster model calculations | Sousa Romero, Carmen; Illas i Riera, Francesc |
| Jun-2020 | On the C(1s) core level binding energy calculations of MXene carbides. A theoretical approach | García-Romeral González, Néstor Mauricio |
| 7-Feb-2018 | On the H-2 interactions with transition metal adatoms supported on graphene: a systematic density functional study | Manadé, Montserrat; Viñes Solana, Francesc; Gil, Adrià; Illas i Riera, Francesc |
| 2016 | On the hydrogen adsorption and dissociation on Cu surfaces and nanorows | Álvarez Falcón, Leny; Viñes Solana, Francesc; Notario Estévez, Almudena; Illas i Riera, Francesc |
| Jun-2016 | On the possibility to identify N dimers in N-doped graphene by means of X-Ray Photoelectron Spectroscopy | Figueras Valls, Marc |
| 7-Apr-2018 | On the prediction of core level binding energies in molecules, surfaces and solids | Viñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 21-Aug-2006 | Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculations | Carrasco Rodríguez, Javier; Sousa Romero, Carmen; Illas i Riera, Francesc; Sushko, P.V.; Shluger, A.L. |
| 1-Oct-2004 | Optical properties of Cu nano-clusters supported on MgO(100) | Del Vitto, Annalisa; Sousa Romero, Carmen; Illas i Riera, Francesc; Pacchioni, Gianfranco |
| 1996 | Origin of magnetic coupling in La2CuO4 | Casanovas Salas, Jordi; Rubio Martínez, Jaime; Illas i Riera, Francesc |
| 1995 | Origin of the vibrational shift of CO chemisorbed on Pt(111) | Illas i Riera, Francesc; Zurita, S.; Rubio Martínez, Jaime; Márquez Cruz, Antonio Marcial |
| 1-Apr-2016 | Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs | Ko, Kyoung Chul; Lamiel Garcia, Josep Oriol; Lee, Jin Yong; Illas i Riera, Francesc |
| 1995 | Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111) | Clotet, A.; Ricart, Josep M.; Casanovas Salas, Jordi; Illas i Riera, Francesc; San Fabián, E.; Moscardó, F. |
| 28-Jan-2016 | Performance of Minnesota functionals on predicting core-level binding energies of molecules containing main-group elements | Pueyo Bellafont, Noèlia; Alvarez Saiz, Gabriel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 1-Aug-2017 | Performance of the G(0)W(0) method in predicting the electronic gap of TiO2 nanoparticles | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
