List of

My research interests are the chemical syntheses and the high-resolution molecular spectroscopic investigations of small molecules and weakly bound (van der Waals) complexes with a main focus on
  • high-resolution rotational, rovibrational and vibrational spectroscopy in the centimetre-, millimetre- and submillimetre-wave range,

  • unstable and/or carbon-chain containing (linear) molecules such as alkinyl (iso)cyanides which are of great astrophysical interest and

  • quantum chemical calculations that supplement the experimental methods.
Besides the chemical and physical aspects of molecular spectroscopy, my work experience also comprises engineering work—from the preparation of point contacts in King-Gordy type frequency multipliers up to the assembly of complete spectrometers.

Presently, I am getting increasingly involved in quantum chemical calculations. This rather modern field of chemistry has without any doubt become more and more important during the last decade. Nowadays the combination of sophisticated theoretical methods and affordable high-performance computer systems offers a powerful tool to support and complement spectroscopic investigations.
As for me, I am mainly dealing with ab initio calculations of potential energy (hyper)surfaces of van der Waals complexes, usually combined with geometry optimisations of the monomers involved. These calculations are carried out with the MOLPRO package of ab initio programs designed by H.-J. Werner and P. J. Knowles, and they are typically performed on the CCSD(T) level of theory using Dunning-type correlation-consistent basis sets like, e. g., aug-cc-pVTZ.

I was also directly involved in the first Canadian Internetworked Scientific Supercomputer project CISS-1 initiated by Paul Lu and Jonathan Schaeffer and performed at the University of Alberta on 2002-11-04. The results will be presented at the 2003 IUPAC/CSC conference in Ottawa (cf. my conference page).
Any queries or comments should be addressed to
Date of last changes: 2003-07-30