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

NEXAFS spectra of (metallo)phthalocyanines with DFT-TS

Ru L2,3-edges XANES specta of a di-Ruthenium catalyst

Understanding OLED phosphorescence with SOC-TDDFT

ZORA DFT explains subtle 129-Xe NMR parameters

Bonding in Dinuclear Metalloradicals

Hydrogen evolution catalyst characterized with EPR