| Deactivation of Excited States in Transition‐Metal Complexes: Insight from Computational Chemistry C Sousa, M Alías, A Domingo, C de Graaf Chemistry–A European Journal 25 (5), 1152-1164, 2019 | 23 | 2019 |
| Mixed-reference spin-flip time-dependent density functional theory for accurate x-ray absorption spectroscopy W Park, M Alías-Rodríguez, D Cho, S Lee, M Huix-Rotllant, CH Choi Journal of Chemical Theory and Computation 18 (10), 6240-6250, 2022 | 15 | 2022 |
| Ultrafast intersystem crossing in xanthone from wavepacket dynamics M Alías-Rodríguez, C de Graaf, M Huix-Rotllant Journal of the American Chemical Society 143 (51), 21474-21477, 2021 | 15 | 2021 |
| Controlling the Lifetime of the Triplet MLCT State in Fe (II) Polypyridyl Complexes through Ligand Modification J Wu, M Alías, C de Graaf Inorganics 8 (2), 16, 2020 | 10 | 2020 |
| Theoretical studies on the energy structures and optical properties of copper cysteamine–a novel sensitizer M Alias, ND Alkhaldi, M Reguero, L Ma, J Zhang, C De Graaf, MN Huda, ... Physical Chemistry Chemical Physics 21 (37), 21084-21093, 2019 | 10 | 2019 |
| Highly oxidized U (VI) within the smallest fullerene: gas-phase synthesis and computational study of boron-doped U@ C 27 B A Moreno-Vicente, M Alías-Rodríguez, PW Dunk, C de Graaf, JM Poblet, ... Inorganic Chemistry Frontiers 10 (3), 908-914, 2023 | 7 | 2023 |
| Quantum dynamics simulations of the thermal and light-induced high-spin to low-spin relaxation in Fe (bpy) 3 and Fe (mtz) 6 M Alías-Rodríguez, M Huix-Rotllant, C de Graaf Faraday Discussions 237, 93-107, 2022 | 7 | 2022 |
| Ultrafast Spin Crossover Photochemical Mechanism in [FeII(2,2′-bipyridine)3]2+] Revealed by Quantum Dynamics M Alías-Rodríguez, S Bhattacharyya, M Huix-Rotllant The Journal of Physical Chemistry Letters 14 (38), 8571-8576, 2023 | 3 | 2023 |
| Theory of out of equilibrium light-induced phenomena: general discussion M Alías-Rodríguez, M Basini, L Benfatto, Y Boeije, I Burghardt, A Burnett, ... Faraday Discussions 237, 198-223, 2022 | 2 | 2022 |
| Control of iron (II)‐tris (2, 2'‐bipyridine) light‐induced excited‐state trapping via external electromagnetic fields M Alías-Rodríguez, M Huix-Rotllant ChemPhysChem, e202400471, 2024 | | 2024 |
| Solvent Effects and pH Dependence of the X-ray Absorption Spectra of Proline from Electrostatic Embedding Quantum Mechanics/Molecular Mechanics and Mixed-Reference Spin-Flip … M Alías-Rodríguez, S Bonfrate, W Park, N Ferré, CH Choi, M Huix-Rotllant The Journal of Physical Chemistry A 127 (49), 10382-10392, 2023 | | 2023 |
