A Time-Dependent DFT Study of the Absorption and Fluorescence Properties of Pyrene-Fused N-Heteroacene
作者单位：Department of Chemistry Beijing Normal University School of Materials Science and Engineering Nanyang Technological University
会议名称：《第十三届全国量子化学会议》
会议日期：2017年
学科分类：07[理学] 070303[理学-有机化学] 0703[理学-化学]
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). From the calculated frontier molecular