1. Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-2084, USA
2. Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée, France
3. Department of Chemistry, Washington State University, Pullman, Washington 99164, USA