Coordination and Organometallic Chemistry: Metal ligand interaction, theoretically guided ligand design and the prediction of spectroscopical properties of transition metal compounds.
Homogeneous Catalysis: Theoretical investigation of the fundamental steps in a catalytic cycle. Prediction of the influence of structural changes to the catalyst molecule.
Chemical Bonding: Analysis and characterization of the detailed electronic structure of interesting or unusual chemical bonds. Correlation of empirical bonding models and actual electronic structure.
Spectroscopic properties: Prediction and confirmation of spectroscopic properties. Influence of structural changes on observed spectra
