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