The Chemical Bond between Transition Metals and Oxygen: Electronegativity, d‑Orbital Effects, and Oxophilicity as Descriptors of Metal–Oxygen Interactions von Moltved, Klaus A, Kepp, Kasper P

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Chemical Bond Energies of 3d Transition Metals Studied by Density Functional Theory von Moltved, Klaus A, Kepp, Kasper P

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The Metal Hydride Problem of Computational Chemistry: Origins and Consequences von Moltved, Klaus A, Kepp, Kasper P

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Performance of Density Functional Theory for Transition Metal Oxygen Bonds von Moltved, Klaus A., Kepp, Kasper P.

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Using electronegativity and hardness to test density functionals von Moltved, Klaus A., Kepp, Kasper P.

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Dioxygen Binding to all 3d, 4d, and 5d Transition Metals from Coupled‐Cluster Theory von Moltved, Klaus A., Kepp, Kasper P.

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Electron Transfer of Hydrated Transition-Metal Ions and the Electronic State of Co3+(aq) von Nielsen, Mathias T, Moltved, Klaus A, Kepp, Kasper P

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Electron Transfer of Hydrated Transition-Metal Ions and the Electronic State of Co 3+ (aq) von Nielsen, Mathias T, Moltved, Klaus A, Kepp, Kasper P

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Using Electronegativity and Hardness to Test Density Functional Universality von Moltved, Klaus A, Kepp, Kasper P

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