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Comment on “ab initio molecular orbital calculation of the methyl nitrite syn-anti isomerization potential”

✍ Scribed by L. Farnell; J.F. Ogilvie


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
111 KB
Volume
156
Category
Article
ISSN
0009-2614

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Ab initio molecular orbital calculations
✍ Thomas P. Davis; Stephen C. Rogers 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 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