1. STC “Institute for Single Crystals”, National Academy of Science of Ukraine, 60 Lenina Avenue, Kharkiv 61001, Ukraine, Computational Center for Molecular Structure and Interactions, Department of Chemistry, Jackson State University, P.O. Box 17910, 1325 Lynch Street, Jackson, Mississippi 39217, Ukrainian−American Laboratory of Computational Chemistry, Kharkiv, Ukraine, and Jackson, Mississippi, and Department of Molecular Biophysics, Institute of Molecular Biology and Genetics, National Academy of...