Relativistic and dispersion effects on O2 activation by metallic nanoparticles

Zeolite-catalyzed hydrolysis: DFT/DFTB calculations

Insights into the components of MAO mixtures

Catalytic oxygenation by Ruthenium Polyoxometalates

Gold-Carbon Bonding in Gold-Alkynyl Complexes

Nonlinear (d)10 dicoordinated transition metal complexes

Relativistic DFT locates 13C NMR signal of dirhodium carbene

Slaters beat Gaussians for Fe-complexes

Catalyst selection: survival of the weakest

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