| The chemical bond between transition metals and oxygen: electronegativity, d-orbital effects, and oxophilicity as descriptors of metal–oxygen interactions KA Moltved, KP Kepp The Journal of Physical Chemistry C 123 (30), 18432-18444, 2019 | 111 | 2019 |
| Chemical bond energies of 3d transition metals studied by density functional theory KA Moltved, KP Kepp Journal of chemical theory and computation 14 (7), 3479-3492, 2018 | 78 | 2018 |
| The metal hydride problem of computational chemistry: Origins and consequences KA Moltved, KP Kepp The Journal of Physical Chemistry A 123 (13), 2888-2900, 2019 | 24 | 2019 |
| Performance of density functional theory for transition metal oxygen bonds KA Moltved, KP Kepp ChemPhysChem 20 (23), 3210-3220, 2019 | 13 | 2019 |
| Electron Transfer of Hydrated Transition-Metal Ions and the Electronic State of Co3+(aq) MT Nielsen, KA Moltved, KP Kepp Inorganic Chemistry 57 (13), 7914-7924, 2018 | 10 | 2018 |
| Using electronegativity and hardness to test density functionals KA Moltved, KP Kepp The Journal of Chemical Physics 152 (24), 2020 | 5 | 2020 |
| Dioxygen Binding to all 3d, 4d, and 5d Transition Metals from Coupled‐Cluster Theory KA Moltved, KP Kepp ChemPhysChem 21 (19), 2173-2186, 2020 | 3 | 2020 |
Mathias Thor NielsenTechnical University of DenmarkVerified email at kemi.dtu.dk
