An AM1 SCF MO study of the reaction of f
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W.C. Neely; E.I. Newhouse; S. Pathirana; S.D. Worley
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Article
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1989
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Elsevier Science
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English
โ 311 KB
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