In our group, the large-scale quantum chemistry program ORCA is developed. ORCA is a highly-efficient, flexible and user friendly quantum chemistry program that is intensely used by a quickly growing user community of about 15,000 researchers worldwide. Its features are fully described elsewhere[2][more]
The department is involved in a wide range of advanced spectroscopic experiments that are aimed at obtaining geometric and electronic structure information on stable as well as transient open-shell transition metal species. Apart from standard laboratory equipment UV/vis, IR Raman, Fluorescence and NMR spectroscopy) the department focuses on the following techniques:[more]
