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Structure, bonding and vibrational modes of the p-aminophenoxyl radical and p-benzosemiquinone radical anion from ab initio molecular orbital calculations

✍ Scribed by Raymond, Kevin S.; Wheeler, Ralph A.


Book ID
124050194
Publisher
Royal Society of Chemistry
Year
1993
Tongue
English
Weight
746 KB
Volume
89
Category
Article
ISSN
0956-5000

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Ab initio molecular orbital calculations
✍ Thomas P. Davis; Stephen C. Rogers πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 407 KB

## Abstract Ab initio molecular orbital calculations have been performed on the transition state for the addition of methyl radical to twelve vinyl monomers using the SV 3–21G basis set. A linear relationship has been found between the calculated energies of activation and previously calculated ene