Ab initio SCF calculations have been performed to determine the equilibrium geometry of the doubly charged firllerene, Cg . A significant Jahn-Teller distortion is found to be operative. The adiabatic double-ionization energy for the process C&I,) +Cg (DM) is calculated to be IE,,= 18.9 eV, this nu
β¦ LIBER β¦
The electronic and geometric structure of dications of oligo-thiophenes
β Scribed by A.J.W. Tol
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 554 KB
- Volume
- 208
- Category
- Article
- ISSN
- 0301-0104
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