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The electronic structure of the heptafulvalene trianion radical—The doublet instability of the Hartree-Fock solution and related phenomena

✍ Scribed by Azumao Toyota, Takeshi Nakajima

Book ID
120750850
Publisher
Springer
Year
1982
Tongue
English
Weight
366 KB
Volume
61
Category
Article
ISSN
1432-2234

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The ground-state electronic structure of
The ground-state electronic structure of the heptafulvalene trianion radical
✍ Azumao Toyota; Takeshi Nakajima 📂 Article 📅 1983 🏛 Elsevier Science 🌐 French ⚖ 196 KB

The ground-state geometrical structure of the heptafulvalene trianion radical, calculated by using the semiempirical open-shell SCF MO method, is found to be of Czv symmetry.