1. Department of Chemistry, Ludwig-Maximilians Universität (LMU) München, 81377 München, Germany
2. Department of Chemistry and Pharmacy, Inorganic Chemistry, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Egerlandstraße 1, 91058 Erlangen, Germany
3. Zentral Institute for Scientific Computing (ZISC), Friedrich-Alexander-Universität (FAU) Erlangen-Nürnberg, Martensstraße 5a, 91058 Erlangen, Germany
4. Computer Chemistry Center, Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität (FAU) Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany
5. Department of General Sciences, TH Nuremberg Georg-Simon-Ohm, University of Applied Sciences, Kesslerplatz 12/25, 90489 Nuremberg, Germany