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- W2788633347 abstract "Buckycatcher molecules (BC), bowl-shaped polycyclic hydrocarbons, have attracted attention as a new type of π conjugated compound. BC molecules with two corannulene subunits can form a complex (BC/C60) with C60 because of the π-π interaction between the convex surface of the C60 and the concave faces of corannulene subunits of the BC. We have performed DFT calculations on the structures and excitation spectra of BC and BC/C60 and found that charge transfer type excitations from BC to C60 are possible in BC/C60." @default.
- W2788633347 created "2018-03-06" @default.
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- W2788633347 date "2018-04-05" @default.
- W2788633347 modified "2023-09-27" @default.
- W2788633347 title "Theoretical Study on Charge-transfer Excitations of Buckycatcher-Fullerene Complexes" @default.
- W2788633347 doi "https://doi.org/10.1246/cl.180012" @default.
- W2788633347 hasPublicationYear "2018" @default.
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