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Quantum-chemical analysis of the coordination of nitroxide probes by Lewis acid sites on the surface of Al2O3

โœ Scribed by Nikolai D. Chuvylkin; Andrei M. Tokmachev; Alexander V. Fionov; Elena V. Lunina


Book ID
111729983
Publisher
Royal Society of Chemistry
Year
1997
Tongue
English
Weight
85 KB
Volume
7
Category
Article
ISSN
0959-9436

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The quantum-chemical investigation of the Lewis acid site (LAS) geometric structure for perfect dehydroxylated cr-A&O, faces ( 0001)) ( 1120) and ( 2240) produced by oxide chopping along the chosen crystallographic direction was performed by the semiempirical approximation SCF MO LCAO MIND0/3 in the