1. Department of Chemistry and Supercomputer Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455, Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, Dipartimento di Chimica “G. Ciamician”, Universitá di Bologna, Via F. Selmi 2, I-40126 Bologna, Italy, and Department of Physical Chemistry, Sciences II University of Geneva, 30 Quai Ernest Ansermet, CH...