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  5. Molecular Design of Organoplatinum(Ⅱ)Complexes for Electroluminescent MaterialsA DFTTDDFT Study

Molecular Design of Organoplatinum(Ⅱ)Complexes for Electroluminescent MaterialsA DFTTDDFT Study

来源 :2016年理论与高性能计算化学国际会议(International Conference on Theoretical | 被引量 : 0次 | 上传用户：zhangnaiyu
【摘 要】
：
　　To design efficient organometallic molecules for organic light emitting diode(OLED)devices,a series of organoplatinum(Ⅱ)complexes with different electron-d
【作 者】
：
Hongyan Ning Li Yang Jiaxu Zhang 
【机 构】
：
SchoolofChemistryandChemicalEngineering,HarbinInstituteofTechnology,Harbin150080,P.R.China
【出 处】
：
2016年理论与高性能计算化学国际会议(International Conference on Theoretical
【发表日期】
：
2016年1期
【关键词】
：
OLED DFT and TDDFT platinum(Ⅱ) complexes HOMO-LUMO 
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　　To design efficient organometallic molecules for organic light emitting diode(OLED)devices,a series of organoplatinum(Ⅱ)complexes with different electron-donating substituents are investigated using density functional theory(DFT)and time-dependent DFT approach.
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