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SemiempirischeMO-Berechnungen an Silicium—Fluor-Verbindungen und ihren Hydrolyseprodukten (1974)

Kleboth, K. ; Rode, B. M.

Springer

Monatshefte für Chemie 105 (1974), S. 815-821

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ISSN: 1434-4475

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract The series of monomeric silicon compounds containing F and/or OH have been calculated using theCNDO/2 method. The energy values obtained prove useful for qualitative discussion of reactions involving the compounds investigated.CNDO/2-valence force constants have been calculated by two different methods. The absolute values are too high compared with experimental values for these compounds, but their relative order is reflected correctly. Some predictions have been made concerning the spectroscopic data to be expected for the hydrolysis products, which have not yet been studied experimentally.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00912980

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