| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394972 | Computational and Theoretical Chemistry | 2011 | 7 Pages |
Abstract
⺠Complexation of ketocyanine dyes induces spectral shifts. ⺠TDDFT calculations of the spectra for dye-ion complexes were performed. ⺠The best performance was obtained for B3LYP. ⺠Long-range-corrected functionals overestimate transition energies.
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Authors
Andrzej Eilmes,