Fig. 10
a optimized structure, b HOMO, c LUMO and d molecular electrostatic potential map (ESP) obtained using B3LYP/6–31 + G(d,p) level of theory in gas phase
Fig. 10 | BMC Chemistry
a optimized structure, b HOMO, c LUMO and d molecular electrostatic potential map (ESP) obtained using B3LYP/6–31 + G(d,p) level of theory in gas phase