| 1 |
Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation
Pierloot K, Phung QM, Ghosh A
Inorganic Chemistry, 59(16), 11493, 2020 |
| 2 |
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled
Ricciarelli D, Phung QM, Belpassi L, Harvey JN, Belanzoni P
Inorganic Chemistry, 58(11), 7345, 2019 |
| 3 |
Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods
Dong G, Phung QM, Pierloot K, Ryde U
Inorganic Chemistry, 57(24), 15289, 2018 |
| 4 |
Switching the Spin-Crossover Phenomenon by Ligand Design on Imidazole-Diazineiron(II) Complexes
Bibi N, de Arruda EGR, Domingo A, Oliveira AA, Galuppo C, Phung QM, Orra NM, Beron F, Paesano A, Pierloot K, Formiga ALB
Inorganic Chemistry, 57(23), 14603, 2018 |
| 5 |
Spin State Energetics and Oxyl Character of Mn-Oxo Porphyrins by Multiconfigurational ab Initio Calculations: Implications on Reactivity
Jannuzzi SAV, Phung QM, Domingo A, Formiga ALB, Pierloot K
Inorganic Chemistry, 55(11), 5168, 2016 |
