4.2 Article

The role of vibronic interactions on intramolecular and intermolecular electron transfer in π-conjugated oligomers

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THEORETICAL CHEMISTRY ACCOUNTS
卷 110, 期 2, 页码 59-69

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SPRINGER
DOI: 10.1007/s00214-003-0445-3

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electron transfer; charge transfer; mixed-valence compounds; vibronic interactions

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The importance of electron-vibrational coupling for intermolecular and intramolecular electron-transfer processes is discussed on the basis of first-principles correlated quantum-mechanical calculations and of a dynamic vibronic approach. The methodology is illustrated for examples selected from some of our recent work. In all instances, the theoretical results are thoroughly compared to experimental data.

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