1. Contribution from the Department of Chemistry, University of San Francisco, 2130 Fulton Street, San Francisco, California 94117-1080, Center for Computational Chemistry, Department of Chemistry, University of Georgia, Athens, GA 30602-2525, Leibniz-Institut für Organische Katalyse an der Universität Rostock, Buchbinderstrasse 5-6, 18055 Rostock, Germany, Computer Chemistry Center, University of Erlangen-Nuremberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany, and Institute of Organic Chemistry,...