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

Pt σ-donation induces strong relativistic effects on 29Si NMR

Charge density and NMR unravel Ni-agostic bonding

Hydrogen bonds in guanine quartets: cooperative effects

Water adsorption on graphene influenced by silica support

NEXAFS spectra of (metallo)phthalocyanines with DFT-TS