Rahal, Mahmoud published the artcileRapid estimation of vibrational zero-point energies of silicon compounds, Recommanded Product: Triethylsilanol, the publication is Computational & Theoretical Chemistry (2013), 182-187, database is CAplus.
In this paper, we extended the application of our empirical formula for the calculation of vibrational zero-point energies (ZPEs) to silicon compounds The bond contribution of Si-C, Si-H, Si-O, Si-Cl and Si-Si were determined The results obtained for more than 90 chem. systems containing these bonds are in good agreement with the exptl. available values. The estimated zero-point energies were compared with the results obtained by application of the extended empirical formula of Schulmann and Disch and with the scaled values obtained using the semi-empirical method (AM1) and the DFT method (B3LYP/6-31G*), in all cases with satisfactory results.
Computational & Theoretical Chemistry published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C6H16OSi, Recommanded Product: Triethylsilanol.
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