1. Catalysis Research Laboratory (CaRLa), Im Neuenheimer Feld 584, 69120 Heidelberg, Germany
2. BASF SE, Quantum Chemistry and Molecular Simulation, Carl-Bosch-Strasse 38, 67056 Ludwigshafen, Germany
3. BASF SE, Synthesis and Homogeneous Catalysis, Carl-Bosch-Strasse 38, 67056 Ludwigshafen, Germany
4. Organisch-Chemisches
Institut, Heidelberg University, Im Neuenheimer Feld 270, 69120 Heidelberg, Germany
5. Department
Chemie, Ludwig-Maximilians-Universität München, Butenandtstr.
5-13, 81377 München, Germany
6. Anorganisch-Chemisches
Institut, Heidelberg University and Interdisciplinary Center for Scientific Computing (IWR), Im Neuenheimer Feld 270, 69120 Heidelberg, Germany