"Towards red-light o-carborane derivatives with both aggregation induced emission and thermally activated delayed fluorescence combining quantum chemistry calculation with molecular dynamics simulation"

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Towards red-light o-carborane derivatives with both aggregation induced emission and thermally activated delayed fluorescence combining quantum chemistry calculation with molecular dynamics simulation

We investigated a series of o-carborane derivatives and designed new red-light derivatives by combining DFT with MD simulation. The reason of their TADF was explored and the AIE property was… Click to show full abstract

Keywords: towards red; red light; chemistry; simulation; carborane derivatives

Journal Title: Journal of Materials Chemistry C
Year Published: 2019

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