1. STC “Institute for Single Crystals” NAS of Ukraine, 60 Lenina ave., Kharkiv, Ukraine, Ukrainian−American Laboratory of Computational Chemistry, Kharkiv, Ukraine, and Jackson, Mississippi, Department of Molecular Biophysics, and Department of Chemistry, Taras Shevchenko National University, 64 Volodymirska Street 01033 Kiev, Ukraine, Computational Center for Molecular Structure and Interactions, Department of Chemistry, Jackson State University, Jackson, Mississippi 39217, and Institute of Molecular...