1. Computational Center for Molecular Structure and Interactions, Department of Chemistry, Jackson State University, P.O. Box 17910, Jackson, Mississippi 39217, Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27 50-370 Wroclaw, Poland, and Department of Biophysics and Chemical Physics, Faculty of Mathematics, Physics, and Informatics, Comenius University, Mlynska Dolina F1, 84248 Bratislava, Slovakia