Stable Aminyl Radical Metal Complex supported by ADF EPR calculations

Slaters beat Gaussians for Fe-complexes

The First Dodecavalent Molybdenum Complex studied with ADF

Lithium – Ammonia solution modeled at the molecular level

Catalyst selection: survival of the weakest

All-Electric Single-Molecule Motor modeled with ADF

Relativistic effects up the voltage in batteries

Quantitative AFM with CO-terminated tips

Modeling the hydrogen bonds, pi-stacking and solvent effects in DNA

NMR of a Lead – Platinum superatom