| Spin state energetics in first-row transition metal complexes: Contribution of (3s3p) correlation and its description by second-order perturbation theory K Pierloot, QM Phung, A Domingo Journal of chemical theory and computation 13 (2), 537-553, 2017 | 156 | 2017 |
| Spin crossover in Fe (II) complexes: An ab initio study of ligand σ‐donation A Domingo, M Àngels Carvajal, C De Graaf International Journal of Quantum Chemistry 110 (2), 331-337, 2010 | 55 | 2010 |
| Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field A Domingo, A Rodriguez-Fortea, M Swart, C de Graaf, R Broer Physical Review B—Condensed Matter and Materials Physics 85 (15), 155143, 2012 | 52 | 2012 |
| Spin state energetics and oxyl character of Mn-oxo porphyrins by multiconfigurational ab initio calculations: implications on reactivity SA Venturinelli Jannuzzi, QM Phung, A Domingo, ALB Formiga, K Pierloot Inorganic chemistry 55 (11), 5168-5179, 2016 | 48 | 2016 |
| Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations A Domingo, MÀ Carvajal, C de Graaf, K Sivalingam, F Neese, C Angeli Theoretical Chemistry Accounts 131, 1-13, 2012 | 38 | 2012 |
| Theoretical evidence for the direct 3 MLCT-HS deactivation in the light-induced spin crossover of Fe (ii)–polypyridyl complexes C Sousa, M Llunell, A Domingo, C de Graaf Physical Chemistry Chemical Physics 20 (4), 2351-2355, 2018 | 36 | 2018 |
| The absorption spectrum of cytosine tautomers: Beyond the static approach A Domingo, A Rodriguez-Fortea, C de Graaf Journal of Chemical Theory and Computation 8 (1), 235-244, 2012 | 36 | 2012 |
| Dinuclear Iron (II) Spin‐Crossover Compounds: A Theoretical Study QM Phung, A Domingo, K Pierloot Chemistry–A European Journal 24 (20), 5183-5190, 2018 | 26 | 2018 |
| 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 |
| Effect of Second‐Order Spin–Orbit Coupling on the Interaction between Spin States in Spin‐Crossover Systems C Sousa, A Domingo, C de Graaf Chemistry–A European Journal 24 (20), 5146-5152, 2018 | 23 | 2018 |
| The effect of thermal motion on the electron localization in metal-to-ligand charge transfer excitations in [Fe (bpy) 3] 2+ A Domingo, C Sousa, C de Graaf Dalton Transactions 43 (47), 17838-17846, 2014 | 22 | 2014 |
| Switching the spin-crossover phenomenon by ligand design on imidazole–diazineiron (II) complexes N Bibi, EGR de Arruda, A Domingo, AA Oliveira, C Galuppo, QM Phung, ... Inorganic chemistry 57 (23), 14603-14616, 2018 | 21 | 2018 |
| Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials A Domingo, M Vérot, F Mota, C de Graaf, JJ Novoa, V Robert Physical Chemistry Chemical Physics 15 (18), 6982-6989, 2013 | 20 | 2013 |
| Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical–Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10 … Y Shuku, R Suizu, A Domingo, CJ Calzado, V Robert, K Awaga Inorganic Chemistry 52 (17), 9921-9930, 2013 | 19 | 2013 |
| Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+ bimetallic complex A Domingo, C Angeli, C de Graaf, V Robert Journal of Computational Chemistry 36 (11), 861-869, 2015 | 17 | 2015 |
| Charge transfer processes: the role of optimized molecular orbitals B Meyer, A Domingo, T Krah, V Robert Dalton Transactions 43 (29), 11209-11215, 2014 | 17 | 2014 |
| Probing the Influence of the Ligands on the Magnetism of Dinuclear Manganese, Iron, and Chromium Complexes Supported by Aroylhydrazone A Domingo, D Specklin, V Rosa, S Mameri, V Robert, R Welter European Journal of Inorganic Chemistry 2014 (15), 2552-2560, 2014 | 9 | 2014 |
| Deactivation of excited states in transition metal complexes: insight from computational chemistry C Sousa Romero, M Alías, A Domingo, C Graaf Chemistry-A European Journal, 2018, vol. 25, num. 5, p. 1152-1164, 2018 | | 2018 |
| Effect of second-order spin-orbit coupling on the interaction between spin states in spin-crossover systems C Sousa Romero, A Domingo, C Graaf Chemistry-A European Journal, 2018, vol. 24, num. 20, p. 5146-5152, 2018 | | 2018 |
| Theoretical evidence for the direct 3MLCT-HS deactivation in the light-induced spin crossover of Fe (II)-polypyridyl complexes C Sousa Romero, M Llunell Marí, A Domingo, C Graaf Physical Chemistry Chemical Physics, 2018, vol. 20, num. 4, p. 2351-2355, 2018 | | 2018 |
Quan PhungNagoya universityEmail verificata su chem.nagoya-u.ac.jp
