| Adsorption and dissociation of carbon monoxide on iron and iron-carbon clusters: Fen+ 2CO and FenC+ 2CO, n= 4 and 7. A theoretical study P Limon, A Miralrio, M Castro Computational and Theoretical Chemistry 1129, 37-47, 2018 | 18 | 2018 |
| Small binary iron‐carbon clusters with persistent high magnetic moments. A theoretical characterization P Limon, A Miralrio, M Castro International Journal of Quantum Chemistry 119 (14), e25932, 2019 | 13 | 2019 |
| Characterization of Magnetic Series of Iron–Carbon Clusters FenC0,±1 (n ≤ 13) P Limon, A Miralrio, M Castro The Journal of Physical Chemistry C 124 (17), 9484-9495, 2020 | 12 | 2020 |
| Carbon Monoxide Activation on Small Iron Magnetic Cluster Surfaces, FenCO, n = 1–20. A Theoretical Approach P Limon, A Miralrio, R Gomez-Balderas, M Castro The Journal of Physical Chemistry A 124 (48), 9951-9962, 2020 | 9 | 2020 |
| Small Transition-Metal Mixed Clusters as Activators of the C–O Bond. FenCum–CO (n + m = 6): A Theoretical Approach P Limon, A Miralrio, R Gómez-Balderas, M Castro The Journal of Physical Chemistry A 125 (36), 7940-7955, 2021 | 4 | 2021 |
| Characterization of Magnetic Series of Iron–Carbon Clusters FeₙC⁰,±¹ (n≤ 13) P Limon, A Miralrio, M Castro | | 2020 |
