【摘 要】
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Metal chelate complexes belong to a kind of the most important emitting materials for OLEDs.The well-known one is Alq3.In spite of the success of Alq3,there
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Metal chelate complexes belong to a kind of the most important emitting materials for OLEDs.The well-known one is Alq3.In spite of the success of Alq3,there is still a big challenge in developing such Alq3-similar highly emitting materials [1-3].It needs an insight into the geometrical and electronic structure,a precise prediction of emitting wavelength,charge transfer property of relevant metal chelate complexes.In other words,a systematic theoretical calculation,analysis,and design are very useful [4,5].
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