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Quantum chemical study of oxidation of unsaturated fragments of butene

✍ Scribed by E. Brocławik; M. Witko; J. Haber; Wang Ren-Hu

Publisher
Elsevier Science
Year
1991
Weight
785 KB
Volume
66
Category
Article
ISSN
0304-5102

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## Abstract Dissociation energies (__E__~D~) of various heterocyclic fragments of repeating units of thermally stable heteropolymers have been calculated by the semiempirical PM‐3 method. Fragments with heterocycles containing carbonyl and/or amine groups and/or oxygen (or sulfur) atoms (benzazoles