Quantum chemical SCF calculations on a double four-membered silicate ring model, H Si 0 s s \*e, of silica yield a theoretical estimate of 1400 f 25 kJ/mol for the heat of deprotonation of surface silanol groups, in close agreement with a value of 1390 \* 25 kJ/mol inferred from spectroscopy. The pr
The place of sioh groups in the absolute acidity scale from ab initio calculations
✍ Scribed by Dietmar Heidrich; Dietmar Volkmann; Bronisz.xl;law Żurawski
- Book ID
- 103020338
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 300 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0009-2614
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