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Structure and coordination of organometallic groups on a chemically modified SiO2surface

✍ Scribed by S. K. Ignatov; A. A. Bagatur'yants; A. G. Razuvaev; M. V. Alfimov; M. B. Molotovshckikova; V. A. Dodonov

Publisher
Springer
Year
1998
Tongue
English
Weight
739 KB
Volume
47
Category
Article
ISSN
1573-9171

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Structure and vibrational frequencies of di- and monomethyl aluminum, zinc, and boron derivatives on a chemically modified SiO2 surface
✍ A.A Bagatur’yants; S.K Ignatov; A.G Razuvaev; O Gropen πŸ“‚ Article πŸ“… 2000 πŸ› Elsevier Science 🌐 English βš– 352 KB

The geometrical and electronic structure of (H 3 SiO) 3 SiΓ€OΓ€R clusters (R=H, B(CH 3 ) 2 , Al(CH 3 ) 2 , and ZnCH 3 ; n = 0, 1, or 2) modeling a Γ€OR group chemisorbed on a SiO 2 surface was studied theoretically with the use of ab initio quantum chemical calculations at the MP2 and B3LYP levels. Var