1. Department of Chemistry, Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, PR 00931-3346, Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, Center for Computational Chemistry, Department of Chemistry, University of Georgia, Athens, Georgia 30602-2525, Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein Strasse 29a, 18059 Rostock, Germany, and Institut für Organische Chemie, Universität Kiel,...