1. Computational Center of Molecular Structure and Interactions, Department of Chemistry, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, Mississippi 39217, Departamento de Quimica Fisica, Facultad de Quimica, QTC, Pontificia Universidad Catolica de Chile, Santiago, Chile, STC “Institute for Single Crystals”, National Academy of Sciences of Ukraine, 60 Lenina Avenue, 61001 Kharkiv, Ukraine, U.S. Army Engineer Research and Development Center (ERDC), Vicksburg, Mississippi 39180,...