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- W2056575967 abstract "This paper presents a quantum-mechanical study of the intramolecular excitation energy transfer (EET) coupling in naphthalene-bridge-naphthalene systems in gas phase and in solution. ZINDO and TDDFT response schemes are compared using both an exact and an approximate solution. The approximate solution based on a perturbative approach uses the single chromophore properties to reconstruct the real system coupling thus neglecting possible through-bond effects which conversely are accounted for in the exact solution. The comparison of the results of the two approaches with the experiments allows a detailed analysis of the relative importance of through-bond and through-space effects as well as a more complete understanding of the modifications in the EET coupling with the size of the system, the chromophore−chromophore distance, and solvation." @default.
- W2056575967 created "2016-06-24" @default.
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- W2056575967 date "2005-11-08" @default.
- W2056575967 modified "2023-10-16" @default.
- W2056575967 title "Toward a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric Systems" @default.
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- W2056575967 doi "https://doi.org/10.1021/ja055489g" @default.
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