1. Department of Chemistry and Supercomputer Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, Department of Chemistry and Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, Department of Chemistry, Ege University, 35100 Bornova/Izmir, Turkey, and Department of Physical Chemistry, Sciences II University of Geneva, 30 Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland