BRATISLAVA MEDICAL JOURNAL-BRATISLAVSKE LEKARSKE LISTY, cilt.122, sa.10, ss.753-758, 2021 (SCI-Expanded)
BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-31+G(d,p) level in the water. Active sites of these compounds are determined using molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined.