1. Contribution from the Department of Chemistry and Biochemistry, The University of Texas at Austin, 1 University Station A5300, Austin, Texas 78712, INEST Group Postgraduate Program, Philip Morris USA, Richmond, Virginia 23234, The Institute for Physical and Theoretical Chemistry, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany, Research Center, Philip Morris USA, 4201 Commerce Road, Richmond, Virginia 23234, and Department of Chemistry, University of Houston, Houston, Texas...