1. Department of Chemistry, University of Rochester, Rochester, New York 14627-0216, Departamento de Química Física, Universitat de València, Dr. Moliner 50, Burjassot, E-4100 Valencia, Spain, Department of Theoretical Chemistry, Chemical Centre, P.O. Box 124, S-221 00 Lund, Sweden, Department of Organic Chemistry and the Lise Meitner-Minerva Center for Computional Quantum Chemistry, The Hebrew University, Jerusalem, 91904 Israel, and Laboratory of Organic Chemistry, Department of Biomolecular Sciences,...