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Ab initio MO calculations of molecular structure and reactivity of the phenoxy radical

✍ Scribed by V.B. Luzhkov; A.S. Zyubin

Book ID
119116966
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
391 KB
Volume
170
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

Application of Ab initio MO calculations
Application of Ab initio MO calculations to methods for predicting reactivity in free radical copolymerization
✍ T.P. Davis; S.C. Rogers πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 512 KB

Ab initio MO calculations have been performed utilizing several different basis sets, viz. STO-3G, SV3-21G and TZV. The output from these calculations included the electronegativity of a set of vinyl monomers and their corresponding radicals formed by the addition of a hydrogen atom or a methyl radi