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• W2003337151 abstract "Abstract We studied the energetics and the geometry of the distorted triplet structures of C50, C56 and C58 theoretically within a simple one-electron-per-site model. Excited state wave functions were constrained into lower symmetries by appropriate group theoretical projection technics. Jahn-Teller distortions were monitored for degenerate vertical excitations. The distortion energies are typically a few tens of meV, the largest value (−0.1 eV) was found for the C 2v 3A1 and 3B1 states of C50 Zero-neld-splittings of various triplets were evaluated; the signs and values of the resulting D and E parameters axe quite sensitive to the system and to the symmetry of the particular excited state." @default.
• W2003337151 created "2016-06-24" @default.
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• W2003337151 date "1997-03-01" @default.
• W2003337151 modified "2023-09-25" @default.
• W2003337151 title "Triplet State Characteristics of Smaller Fullerenes" @default.
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• W2003337151 doi "https://doi.org/10.1080/15363839708011997" @default.
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