“…Furthermore, the contour scale is displayed in a sequence starting from the outermost region with values of 0.004, 0.008, 0.020, 0.040, 0.080, 0.200, and 0.400. The LP orbitals of the oxygen binding site are widely known to play a significant role in the orbital interaction with metal cations [53,54,[82][83][84][85][86][87][88][89][90].…”