The energetically most favorable C nuclear arrangements of cation and anion radicals of heptafulvalene, I, pmqtafulvalene. II, and triafulvalene. III, are calctited using the open-shell SCF bf0 method in conjuxtion with the variable bond length technique. The molecular qmmetry groups for anion radic
✦ LIBER ✦
Energy Component Analysis of the Pseudo-Jahn−Teller Effect in the Ground State of the Triafulvalene Anion, Pentafulvalene Cation, and Heptafulvalene Anion Radicals
✍ Scribed by Toyota, Azumao; Koseki, Shiro
- Book ID
- 120009740
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 165 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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