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PMO theory for hydrogen abstraction from saturated hydrocarbons

✍ Scribed by William C. Herndon

Publisher: Elsevier Science
Year: 1979
Tongue: French
Weight: 215 KB
Volume: 20
Category: Article
ISSN: 0040-4039
DOI: 10.1016/s0040-4039(01)95528-5

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✦ Synopsis

Saturated hydrocarbon radicals in the hybrid orbital all-valence-electron basis Possess a nonbonding molecular orbital whose eigencoefficients can be written by inspection.

Perturbational MO calculations using these coefficients lead to good correlations of hydrogen abstraction reactivity data.

Fukui and coworkers have developed a valence-electron Hiickel-type molecular orbital treatment of saturated organic molecules and radicals.

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