A Time-Dependent DFT Study of the Absorption and Fluorescence Properties of Pyrene-Fused N-Heteroace

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：zhuxu19860802

【摘要】

：

Absorption and fluorescence spectra of Pyrene-Fused N-Heteroacene(Ring12 and Ring15)have been computed by using time-dependent density functional theory(TDDFT).

【作者】

：

Huanxiang Zhang Wei Hao Zilong Wang Jia Zhu Qichun Zhang Shuzhou Li

【机构】

：

Department of Chemistry,Beijing Normal University,Beijing,100875 P.R.China

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

Pyrene-Fused N-Heteroacene Absorption wavelength TDDFT

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　　Absorption and fluorescence spectra of Pyrene-Fused N-Heteroacene(Ring12 and Ring15)have been computed by using time-dependent density functional theory(TDDFT).

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A Time-Dependent DFT Study of the Absorption and Fluorescence Properties of Pyrene-Fused N-Heteroace

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