1. Department
of Chemistry and Chemical Biology, Indiana University−Purdue University , Indianapolis, Indiana 46202, United States
2. Quantum
Theory Project, Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States
3. Computer-Chemie-Centrum
and Interdisciplinary Center for Molecular Materials, Department of
Chemie und Pharmazie, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91052 Erlangen, Germany
4. Centre
for Molecular Design, University of Portsmouth, Portsmouth, PO1 2DY, United Kingdom