| The carboxylate ligand as an oxide relay in catalytic water oxidation S Zhan, JA De Gracia Triviño, MSG Ahlquist Journal of the American Chemical Society 141 (26), 10247-10252, 2019 | 54 | 2019 |
| Complete active space methods for NISQ devices: The importance of canonical orbital optimization for accuracy and noise resilience JA de Gracia Triviño, MG Delcey, G Wendin Journal of Chemical Theory and Computation 19 (10), 2863-2872, 2023 | 15 | 2023 |
| Oxide relay: an efficient mechanism for catalytic water oxidation at hydrophobic electrode surfaces JA de Gracia Triviño, MSG Ahlquist The Journal of Physical Chemistry Letters 11 (17), 7383-7387, 2020 | 7 | 2020 |
| Operando Condition Reaction Modeling Shows Highly Dynamic Attachment of Oligomeric Ruthenium Catalysts JA de Gracia Trivino, MSG Ahlquist ACS Catalysis 13 (2), 1270-1279, 2023 | 4 | 2023 |
| Insights into Tripodal Tris (pyrazolyl) Compounds as Ionophores for Potentiometric Ammonium Ion Sensing N Colozza, A Casanova, BM Fernández‐Pérez, GA Crespo, GA Flores, ... ChemElectroChem 9 (18), e202200716, 2022 | 2 | 2022 |
| Removing the Barrier in O–O Bond Formation Via the Combination of Intramolecular Radical Coupling and the Oxide Relay Mechanism JA de Gracia Triviño, MSG Ahlquist The Journal of Physical Chemistry A 128 (19), 3794-3800, 2024 | 1 | 2024 |
| The Role of Counterions in Intermolecular Radical Coupling of Ru-bda Catalysts JA de Gracia Triviño, MSG Ahlquist Topics in Catalysis 65 (1), 383-391, 2022 | 1 | 2022 |
| Revisiting random insertion for packing molecules in a box JÁ de Gracia Triviño | | 2025 |
| Supporting information Operando condition reaction modeling shows highly dynamic attachment of oligomeric ruthenium catalysts JA de Gracia Triviño, MSG Ahlquist | | |
Mårten AhlquistTheoretical Chemistry & Biology, KTH Royal Institute of TechnolgyDirección de correo verificada de theochem.kth.se