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Interaction of oxides of tin with isopropyl alcohol

โœ Scribed by V.A. Komarov; S.A. Abdoolayeva; E.A. Tcherneekova

Book ID
113172418
Publisher
Elsevier Science
Year
1963
Tongue
English
Weight
42 KB
Volume
2
Category
Article
ISSN
0021-9517

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Vibrational spectra of isopropyl alcohol
Vibrational spectra of isopropyl alcohol interacting with metal oxides. A DFT study
โœ Sล‚awomir Ostrowski; Jan Cz. Dobrowolski; Jacek Kijeล„ski ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 181 KB

Interaction of the 2-propanole molecule with metal oxides molecules of different basisity (BeaO, MgaO, and CaaO) was studied at the DFT/B3LYP/6-311CCG\*\* level. The interaction begins due to formation of a relatively week hydrogen bond (OH/OaMe) complex. Next, the hydrogen bond system is reorganize