Questions tagged [charge-transfer]

For questions about charge transfer processes in materials and molecules

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How to calculate charge transfer (CT) in NBO Analysis using Gaussian 09?

I have a coronene structure, functionalized with hydroxyl groups. I want to calculate the charge transfer (CT) between the coronene and the hydroxyl group, using NBO analysis as implemented in ...
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Difference between pi-pi* transition and intramolecular charge transfer ICT in organic solar cells?

Intramolecular charge transfer (ICT( occurs from donors to acceptors in molecules. This phenomenon can be observed by visualizing the charge distribution patterns of HOMO and LUMO. While studying D-A ...
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