Faculty of Science Chemistry Department Debye Institute
Theoretical Chemistry Group,
Quantum chemical calculations of the electronic structure of molecules and molecular complexes are used to determine heats of formation geometries, potential energy surfaces and various molecular properties. New methods and computer-codes are developed. Main application areas are radical cations, (metal) organic chemistry and catalysis.
Vakgroeps Reunie 2009
Quantum Chemical links
Other theoretical chemistry groups in the Dutch language area
Last Modified: October, 2008 / Marcin Zielinski