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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DOI: 10.1039/c8tc06559d
Abstract: 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 analyzed in water, crystal and… read more here.
Keywords: towards red; red light; chemistry; simulation ... See more keywords