A DFT Study of Some Structural and Spectral Properties of 4-Methoxyacetophenone Thiosemicarbazone and Its Complexes with Some Transition Metal Chlorides: Potent Antimicrobial Agents

Figure 2

PES scan curve for hydrogen atom migration in MAPTSC, simulated at the B3LYP/6-31G(d,p) level of theory in ethanol as solvent.