| Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism JP Lewis, P Jelínek, J Ortega, AA Demkov, DG Trabada, B Haycock, ... physica status solidi (b) 248 (9), 1989-2007, 2011 | 247 | 2011 |
| Proton transfer in guanine-cytosine base pairs in B-DNA D Soler-Polo, JI Mendieta-Moreno, DG Trabada, J Mendieta, J Ortega Journal of chemical theory and computation 15 (12), 6984-6991, 2019 | 26 | 2019 |
| Quantum mechanics/molecular mechanics free energy maps and nonadiabatic simulations for a photochemical reaction in DNA: cyclobutane thymine dimer JI Mendieta-Moreno, DG Trabada, J Mendieta, JP Lewis, ... The Journal of Physical Chemistry Letters 7 (21), 4391-4397, 2016 | 26 | 2016 |
| Hydrogenation of semiconductor surfaces: Si-terminated cubic SiC (100) surfaces DG Trabada, F Flores, J Ortega Physical Review B 80 (7), 075307, 2009 | 20 | 2009 |
| Giant alkali-metal-induced lattice relaxation as the driving force of the insulating phase of alkali-metal/Si (111): B L Chaput, C Tournier-Colletta, L Cardenas, A Tejeda, B Kierren, ... Physical Review Letters 107 (18), 187603, 2011 | 15 | 2011 |
| Ultrafast Atomic Diffusion Inducing a Reversible Transition on W Srour, DG Trabada, JI Martinez, F Flores, J Ortega, M Abuín, ... Physical Review Letters 114 (19), 196101, 2015 | 10 | 2015 |
| Weak dimers and soft phonons on the β-SiC (100) surface DG Trabada, J Ortega Journal of Physics: Condensed Matter 21 (18), 182003, 2009 | 7 | 2009 |
| A practical quantum mechanics molecular mechanics method for the dynamical study of reactions in biomolecules JI Mendieta-Moreno, I Marcos-Alcalde, DG Trabada, P Gómez-Puertas, ... Advances in Protein Chemistry and Structural Biology 100, 67-88, 2015 | 6 | 2015 |
| Accurate ab initio determination of ballistic electron emission spectroscopy: Application to Au/Ge A Gerbi, C González, R Buzio, N Manca, D Marrè, LD Bell, DG Trabada, ... Physical Review B 98 (20), 205416, 2018 | 5 | 2018 |
| DFT Molecular Dynamics and Free Energy Analysis of a Charge Density Wave Surface System JO Daniel G.Trabada, Jesús I.Mendieta-Moreno, DiegoSoler-Polo, FernandoFlores Applied Surface Science, 2019 | 4 | 2019 |
| Metallization of the potassium overlayer on the β-SiC (100) c (4× 2) surface BJ Haycock, DG Trabada, J Ortega, JD O’Mahony, JP Lewis Journal of Physics: Condensed Matter 24 (48), 485001, 2012 | 1 | 2012 |
| Non-adiabatic QM/MM simulations of cyclobutane thymine dimer formation in DNA JI Mendieta-Moreno, DG Trabada, J Mendieta, JP Lewis, ... EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S224-S224, 2017 | | 2017 |
| Proton transfer in GC base pairs embedded in solvated DNA: Reaction mechanism and free energies D Soler-Polo, JI Mendieta-Moreno, DG Trabada, J Ortega EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S231-S231, 2017 | | 2017 |
| Uso de hardware libre en el Máster de Formación del Profesorado de Secundaria (Especialidad Informática) G Botella Juan, D González, P Angulo, J López, FA Martínez, ... Enseñanza y Aprendizaje de Ingeniería de Computadores, 79-87, 2011 | | 2011 |
| Efectos dinámicos en la superficie [beta]-SiC (100) DG Trabada Efectos dinámicos en la superficie [beta]-SiC (100), 2009 | | 2009 |
