Agostic Isomers: different colors and structures

Stable Aminyl Radical Metal Complex supported by ADF EPR calculations

Tungsten NMR spin-spin couplings in polyoxometalates

A 120 atom tetrahedral silver cluster modeled with ADF

Modeling the 32 Electron Rule for Heavy Element Compounds

Lithium – Ammonia solution modeled at the molecular level

NMR of a Lead – Platinum superatom

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

Charge density and NMR unravel Ni-agostic bonding

A coupled TDDFT – atomistic electrodynamics model to study excitations in adsorbate-nanoparticle systems