1. Département de Chimie, Ecole Normale Supérieure, UMR 8640 PASTEUR, 24 rue Lhomond, Paris, F-75005 France, Laboratoire de Physique des Lasers, des Atomes et des Molécules, Université de Lille I, Cité Scientifique, 59655 Villeneuve d'Ascq Cedex, France, Centre for Research in Molecular Modeling and Department of Chemistry & Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montreal, Quebec H4B 1R6, Canada, and Department of Chemistry and Biochemistry, University of Colorado, Boulder,...