1. Institut UTINAM, UMR CNRS 6213, University of Franche-Comté, Campus de la Bouloie, UFR Sciences et Techniques, 25030 Besançon cedex, France, Department of Chemistry, University of New Mexico, Albuquerque, New Mexico 87131, and Institute of Theoretical and Computational Chemistry, Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China