1. Leibniz-Institute for Catalysis e.V., Albert-Einstein-Street 29a, 18059 Rostock, Germany
2. Evonik Operations GmbH, Paul-Baumann-Street 1, 45772 Marl, Germany
3. University of Rostock, Institute of Mathematics, Ulmenstraße 59, 18057 Rostock, Germany
4. Chair for Theoretical Chemistry, Ruhr-Universität Bochum, 44780 Bochum, Germany