Insights from QM/MM-ONIOM calculations: the TADF phenomenon of phenanthro[9,10-d]imidazole-anthraquinone in the solid state
The QM/MM technique is employed to study the TADF phenomenon of a near-infrared molecule (PIPAQ) in aggregation state, the calculated results can prove the steric hindrance effect from the surrounding molecules.
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2012 ◽
Vol 45
(9)
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pp. 1070-1078
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2016 ◽
Vol 18
(6)
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pp. 5034-5039
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2009 ◽
Vol 50
(10)
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pp. 1131-1135
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