1. Contribution from the Department of Chemistry, Washington University, St. Louis, Missouri 63130, Department of Chemistry, Hunter College of CUNY, 695 Park Avenue, New York, New York 10021, Department of Chemistry, University of California, Davis, California 95616, Materials Theory and Computation Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, Department of Chemistry, University of New Mexico, Albuquerque, New Mexico 87131, Department of Chemistry, Case Western Reserve University...