| Single‐Molecule Conductance of 1, 4‐Azaborine Derivatives as Models of BN‐doped PAHs L Palomino‐Ruiz, S Rodríguez‐González, JG Fallaque, IR Márquez, ... Angewandte Chemie International Edition 60 (12), 6609-6616, 2021 | 19 | 2021 |
| Engineering the HOMO–LUMO gap of indeno [1, 2-b] fluorene R Casares, Á Martínez-Pinel, S Rodríguez-González, IR Márquez, ... Journal of Materials Chemistry C 10 (32), 11775-11782, 2022 | 18 | 2022 |
| Grazing incidence fast atom and molecule diffraction: theoretical challenges C Díaz, MS Gravielle Physical Chemistry Chemical Physics 24 (26), 15628-15656, 2022 | 7* | 2022 |
| A theoretical approach of the ethanol adsorption on Au (100), Au (110) and Au (111) surfaces J Fallaque-Najar, JC Morales-Gomero, V Timon Surface Science 689, 121458, 2019 | 5 | 2019 |
| Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes JG Fallaque, S Rodríguez-González, F Martín, C Díaz Journal of Physics: Condensed Matter 34 (43), 435901, 2022 | 2 | 2022 |
| A simple model to engineer single-molecule conductance of acenes by chemical disubstitution JG Fallaque, S Rodríguez-González, C Díaz, F Martín Nanoscale 14 (2), 464-472, 2022 | 2 | 2022 |
| Tailoring single-molecule conductance with structured graphene electrodes JG Fallaque, S Rodríguez-González, C Díaz, F Martín Applied Surface Science 646, 158943, 2024 | | 2024 |
| Normal and off-normal incidence dissociative dynamics of O 2 (v, J) on ultrathin Cu films grown on Ru (0001) JG Fallaque, M Ramos, HF Busnengo, F Martín, C Díaz Physical Chemistry Chemical Physics 23 (13), 7768-7776, 2021 | | 2021 |
| A theoretical approach of the ethanol adsorption on Au (100), Au (110) and Au (111) surfaces V Timón, J Fallaque-Najar, JC Morales-Gomero Elsevier, 2019 | | 2019 |
