Alex Domingo

Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory

Kristine Pierloot, Quan Manh Phung, Alex Domingo · Journal of Chemical Theory and Computation · 2016 · 168 citations · Full text

Engineering, Theoretical Inorganic Chemistry, Magnetic Resonance +17

Spin crossover in Fe(II) complexes: An ab initio study of ligand σ‐donation

Alex Domingo, Maria Àngels Carvajal, Coen de Graaf · International Journal of Quantum Chemistry · 2009 · 53 citations

Magnetic Properties, Engineering, Theoretical Inorganic Chemistry +19

Spin State Energetics and Oxyl Character of Mn-Oxo Porphyrins by Multiconfigurational ab Initio Calculations: Implications on Reactivity

Sergio A. V. Jannuzzi, Quan Manh Phung, Alex Domingo et al. · Inorganic Chemistry · 2016 · 52 citations · Full text

Oxygen Reduction Reaction, Inorganic Chemistry, Chemical Engineering +15

<i>Ab initio</i>absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field

Alex Domingo, Antonio Rodríguez‐Fortea, Marcel Swart et al. · Physical Review B · 2012 · 45 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations

Alex Domingo, Maria Àngels Carvajal, Coen de Graaf et al. · Theoretical Chemistry Accounts · 2012 · 35 citations

Engineering, Physics, Natural Sciences +9