1. Institute
of Physical Chemistry and National Center for Computational Design
and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstraße 80, CH-4056 Basel, Switzerland
2. Max-Planck-Institut
für Kohlenforschung, Kaiser-Wilhelm-Platz
1, 45470 Mülheim
an der Ruhr, Germany
3. Computer-Chemie-Centrum
and Interdisciplinary Center for Molecular Materials, Department Chemie
und Pharmazie, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany
4. Argonne
Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass
Avenue, Lemont, Illinois 60439, United States