Synthesis, Characterization, and Biological and Cytotoxic Studies of Copper(II), Nickel(II), and Zinc(II) Binary Complexes of 3-Amino-5-methyl Isoxazole Schiff Base

Table 4

Relative energies and HOMO energy values of proposed energy-minimized molecular structures of metal complexes.

Complex	PM3 (total energy) in K.Cal/mole	PM3 (Homo values in eV)
[Cu(MIIMMP)2(H2O)2]	−6398.8971	−4.4390
[Ni(MIIMMP)2(H2O)2]	−6711.9254	−6.7615
[Zn(MIIMMP)2(H2O)2]	−6141.5301	−7.5137