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An MNDO SCF-MO study of the mechanism of the Cannizzaro reaction

โœ Scribed by Rzepa, Henry S.; Miller, Jonathan


Book ID
120282223
Publisher
Royal Society of Chemistry
Year
1985
Tongue
English
Weight
785 KB
Volume
5
Category
Article
ISSN
1472-779X

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The decomposition process for formaldehyde in the presence of atomic oxygen has been investigated using AM 1 semiempirical SCF MO calculations. It is found that for both singlet and triplet energy surfaces the most facile predicted &composition pathway involves insertion of atomic oxygen to form for