Tables -
Table 1 Bond length (Å), Frequency (cm-1), and Ionization potential (eV) of different dimmers, comparison with theoretical and experimental data’s
Table 2 Bond length (Å), and Frequency (cm-1), of different dimmers with different functional
Table 3 Calculation of the average binding energy, HOMO-LUMO gap, bond length of Ge-TM, and the relative energy (ΔE) difference between stable isomers
Table 4 Accumulation of natural charges in TM@Ge12 [TM = Co, Pd, Tc, and Zr] clusters