Dr. A. W. Ehlers
Organic ChemistryDr. Ehlers’ main interest is the study of inorganic, organometallic and bio(in)organic reaction mechanisms using high level computational techniques (ab initio, semi-empirical, and QM/MM) to design new reactive intermediates and catalysts, and to predict electronic properties of molecules. The focus is on the influence of transition metals fragments on the electronic structure of transition metal complexes and metallo¬enzymes of which the role in catalytic processes and the dynamics of protein folding are important ingredients.
Detailed information can be found in the department's latest progress report.