1. Department of Chemistry, Emory University, Atlanta, Georgia 30322, Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan, Department of Chemistry, James Madison University, Harrisonburg, Virginia 22807, Laboratoire de Synthèse Organique, UMR 6513, FR-CNRS 2465, Faculté des Sciences et des Techniques de Nantes BP 92208 2, rue de la Houssinière, 44322 NANTES Cedex 3, France, and...