Research Profile

Our central field of research is Computational Chemistry, with a focus on Quantum Chemistry. We apply ab initio or density functional methods to explore reaction mechanisms and to understand the structure and spectroscopy of molecules with unusual electronic and magnetic properties. Our research interests are interdisciplinary and cover areas such as main-group and bioinorganic chemistry, homogenous catalysis, material science, molecular energy carriers, and gas phase chemistry. In recent years our research activities have expanded with a special focus on silicon chemistry and plasma chemistry, fields in which we have started to pursue experimental work as well. Many of our current activities involve close cooperation with experimental groups and industry partners.
 

Representative publications

• Thermal Synthesis of Perchlorinated Oligosilanes: A Fresh Look at an Old Reaction

  F. Neumeier, J. I. Schweizer, L. Meyer, A. G. Sturm, A. Nadj, N. Auner, M. C. Holthausen

  Chem. Eur. J. (2017) DOI: 10.1002/chem.201702224