1. Catalysis Research Laboratory (CaRLa), Im Neuenheimer Feld 584, D-69120 Heidelberg, Germany
2. BASF SE, Quantum Chemistry, Carl-Bosch-Straße 38, D-67056 Ludwigshafen, Germany
3. BASF SE, Chemical Synthesis Research, Carl-Bosch-Straße 38, D-67056 Ludwigshafen, Germany
4. Institute of Inorganic Chemistry & Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 270, D-69120 Heidelberg, Germany
5. Institute of Organic Chemistry, Heidelberg University, Im Neuenheimer Feld 270, D-69120 Heidelberg, Germany