The ground-state electronic properties o
β
A. Toyota; T. Nakajima
π
Article
π
1970
π
Elsevier Science
π
English
β 242 KB
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