“…By means of different quantum chemical methods (PM/3, MP/3, MNDO, ab initio), various properties of individual chemical species (including organic) have been rather successfully explained so far: efficiencies as anti-corrosion inhibitors [1][2][3][4][5][6][7][8][9][10] (also as inhibitors of hydrogen absorption by metals) [5][6][7][8][9][10], efficiencies of species as biocides e.g. against sulfate reducing bacteria (SRB) [7][8][9][10]; wide range (scope) of medical (pharmaceutical) [21] or, generally, biological activity [11] or properties in relation to important chemical applications (EFG in NQR) [12] of various individual substances can also be well explained by means of analysis of certain quantum chemical characteristics -descriptors QCD [13] available for the respective molecules, provided the chemical structure of corresponding species is known.…”