| Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study A Lebon, RH Aguilera-del-Toro, LJ Gallego, A Vega international journal of hydrogen energy 44 (2), 1021-1033, 2019 | 39 | 2019 |
| Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters RH Aguilera-del-Toro, F Aguilera-Granja, A Vega, LC Balbás Physical Chemistry Chemical Physics 16 (39), 21732-21741, 2014 | 29 | 2014 |
| A first principles systematic study of the structural, electronic, and magnetic properties of Heusler X2MnZ with X= Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Pt, Au and Z= Al, Si, Ga, Ge … F Aguilera-Granja, RH Aguilera-del-Toro, JL Morán-López Materials Research Express 6 (10), 106118, 2019 | 20 | 2019 |
| Structure, fragmentation patterns, and magnetic properties of small nickel oxide clusters RH Aguilera-del-Toro, F Aguilera-Granja, LC Balbás, A Vega Physical Chemistry Chemical Physics 19 (4), 3366-3383, 2017 | 16 | 2017 |
| Structural and electronic properties of (TiO2) 10 clusters with impurities: A density functional theory investigation RH Aguilera–del–Toro, F Aguilera-Granja, EE Vogel Journal of Physics and Chemistry of Solids 135, 109107, 2019 | 11 | 2019 |
| Relation between structural patterns and magnetism in small iron oxide clusters: reentrance of the magnetic moment at high oxidation ratios RH Aguilera-del-Toro, F Aguilera-Granja, MB Torres, A Vega Physical Chemistry Chemical Physics 23 (1), 246-272, 2021 | 10 | 2021 |
| Uncovering the magnetic properties of the AgxNiy (x+ y= 55) nanoalloys in the whole composition range RH Aguilera-del-Toro, PG Alvarado-Leyva, A Vega Journal of Magnetism and Magnetic Materials 474, 551-562, 2019 | 9 | 2019 |
| TiO2 nano-clusters adsorbed on surfaces: A density-functional-theoretic study F Aguilera-Granja, RH Aguilera–del–Toro, EE Vogel, E Cisternas Journal of Physics and Chemistry of Solids 150, 109716, 2021 | 8 | 2021 |
| Structural and Electronic Properties of TMn[(BN)3H6]m Complexes with TM = Co (n, m = 1–3) and with TM = Fe, Ni, Ru, Rh, Pd (n = m = 1–3) F Aguilera-Granja, RH Aguilera-del-Toro, A Vega, LC Balbás The Journal of Physical Chemistry A 118 (16), 2976-2983, 2014 | 7 | 2014 |
| Adsorption of Selected Molecules on (TiO2)20 Nano-Clusters: A Density-Functional-Theory Study F Aguilera-Granja, RH Aguilera-del-Toro, E Díaz-Cervantes Nanomanufacturing 2 (3), 124-145, 2022 | 6 | 2022 |
| Why are Zn-rich Zn–Mg nanoalloys optimal protective coatings against corrosion? A first-principles study of the initial stages of the oxidation process P Álvarez-Zapatero, A Lebon, RHA Del Toro, A Aguado, A Vega Physical Chemistry Chemical Physics 23 (43), 24685-24698, 2021 | 6 | 2021 |
| Bimetalic (AuPt) 4 nano-clusters adsorbed on TiO2 nano-wires: a density-functional-theoretic study F Aguilera-Granja, RH Aguilera–del–Toro, EE Vogel, E Cisternas Journal of Physics and Chemistry of Solids 159, 110275, 2021 | 5 | 2021 |
| Structural properties, magnetism and reactivity of Ni13-xFex nanoalloys G Vinuesa, RH Aguilera-del-Toro, A Vega Journal of Magnetism and Magnetic Materials 524, 167636, 2021 | 5 | 2021 |
| Structural and electronic properties of (TiO2) N nanowires: A density functional theory investigation RH Aguilera–del–Toro, F Aguilera-Granja, EE Vogel Journal of Physics and Chemistry of Solids 119, 175-182, 2018 | 5 | 2018 |
| Magnetic order and magnetic anisotropy in two-dimensional ilmenenes RH Aguilera-del-Toro, M Arruabarrena, A Leonardo, A Ayuela Nanoscale Advances 5 (10), 2813-2819, 2023 | 4 | 2023 |
| Tuning the Magnetic Moment of Small Late 3d-Transition-Metal Oxide Clusters by Selectively Mixing the Transition-Metal Constituents RH Aguilera-del-Toro, MB Torres, F Aguilera-Granja, A Vega Nanomaterials 10 (9), 1814, 2020 | 2 | 2020 |
| Structural and electronic changes in the Ni 13@ Ag 42 nanoparticle under surface oxidation: the role of silver coating RH Aguilera-del-Toro, F Aguilera-Granja, A Vega Physical Chemistry Chemical Physics 26 (4), 3117-3125, 2024 | 1 | 2024 |
| Adsorption of silanediol-like molecules on TiO2 nano-clusters: A density-functional-theoretic study F Aguilera-Granja, RH Aguilera-del-Toro, EE Vogel, J Escrig Journal of Physics and Chemistry of Solids 183, 111642, 2023 | | 2023 |
| Theoretical study of structural, electronic and magnetic properties of Co clusters embedded in an Ag matrix F Aguilera-Granja, MB Torres, RH Aguilera-del-Toro Solid State Communications 372, 115301, 2023 | | 2023 |
| Effect of substitutional metallic impurities on the optical absorption properties of TiO2 E Cisternas, RH Aguilera–del–Toro, F Aguilera-Granja, E Vogel | | 2023 |
