Vibrational zero-point energies of non-aromatic silicon compounds

الملخص EN

In this study, the increment of silicon atom has been determined and incorporated in empirical formula to calculate zero-point energies (ZPE) of non-aromatic silicon compounds.

The calculated ZPE for 49 molecules containing silicon atom correlates well with the experimental values.

The comparison of these results with semi empirical (AM1) ZPE appears very satisfactory.