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- W54241551 abstract "The geometrical and electronic structure of various excited states of the C60 molecule is determined by a semi-empirical extended Hubbard model. The Jahn-Teller distortions are found to be small in terms of bond length changes (max. 0.02 A). Triplet excited states of symmetries D 5d and D 2h have been found to be 0.089 eV and 0.040 eV below the icosahedral state. Other symmetries as D 3d can also be located but they are of higher energies. The triplet ground state in solution is predicted to have D 5d symmetry, while the D 2h state is likely the lowest triplet in the solid phase." @default.
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- W54241551 date "1993-01-01" @default.
- W54241551 modified "2023-09-23" @default.
- W54241551 title "Jahn-Teller Distorted Excited States of C60" @default.
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- W54241551 doi "https://doi.org/10.1007/978-3-642-85049-3_20" @default.
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