Vibrational zero-point energies of non-aromatic silicon compounds | ||
Journal of Basrah Researches (Sciences) | ||
Article 1, Volume 38, Issue 1, March 2012, Pages 106-113 PDF (0 K) | ||
Authors | ||
Nasser. S. AbdulHussain; Ibrahim A. Fleifel | ||
Abstract | ||
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 semiempirical (AM1) ZPE appears very satisfactory. | ||
Keywords | ||
zero; point energy; Empirical ZPE; silicon compounds; ZPE | ||
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