1. Department of Chemistry, Philipps-Universität Marburg, Hans-Meerwein-Strasse 4, 35032 Marburg, Germany
2. Department of System Analysis and Computer Simulation, Belarusian State University, Kurchatov Street 5, 220050 Minsk, Belarus
3. Department of Chemistry, Department of Physics, Program in Applied and Computational Mathematics, Princeton Institute for the Science and Technology of Materials, Princeton University, Princeton, New Jersey 08544, USA