Theoretical and computational chemistry

The following topics have been in the center of our research:

Investigation of Chiral Systems
Purpose-Driven Spectroscopy
Vibrational Spectroscopy for Condensed Phase Systems and Interfaces
Analysis of Functional Compounds
Catalysis and Design

Implementations in major program packages, e.g. in

Turbomole (local, non-public version)
MOVIPAC [J. Comput. Chem. 33 1165 (2013)] (freely available for download)
CP2K (www.cp2k.org) (freely available for download)

Our group takes part in the university research priority program
“Solar light to chemical energy conversion” (LightChEC):
Link

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