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浏览/检索结果: 共6条，第1-6条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Benzimidazobenzothiazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes: A quantum-chemical TD-DFT study 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 192, 页码: 297-303 作者:  Zhu, Qiuling[1];  Wen, Keke[2];  Feng, Songyan[3];  Guo, Xugeng[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：14/0  |  提交时间：2019/12/23 TADF  TD-DFT  Singlet-triplet energy difference  Radiative decay rate  Spin-orbital coupling   The excited-state intramolecular proton transfer in N-H-type dye molecules with a seven-membered-ring intramolecular hydrogen bond: A theoretical insight 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 191, 页码: 421-426 作者:  Yuan, Huijuan[1];  Feng, Songyan[2];  Wen, Keke[3];  Guo, Xugeng[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/23 ESIPT  TD-DFT  Topological analysis  Potential energy curve   Tunable excited-state intramolecular proton transfer reactions with N-H or O-H as a proton donor: A theoretical investigation 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 187, 页码: 9-14 作者:  Li, Yuanyuan[1];  Wen, Keke[2];  Feng, Songyan[3];  Yuan, Huijuan[4];  An, Beibei[5] 收藏  |  浏览/下载：7/0  |  提交时间：2019/12/23 ESIPT  Intramolecular hydrogen bond  DFT/TD-DFT  Topology analysis   A quantum-chemical insight into the tunable fluorescence color and distinct photoisomerization mechanisms between a novel ESIPT fluorophore and its protonated form 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 183, 页码: 123-130 作者:  Yuan, Huijuan[1];  Feng, Songyan[2];  Wen, Keke[3];  Zhu, Qiuling[4];  An, Beibei[5] 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23 ESIPT  TD-DFT  Photoisomerization  Fluorescence color  Potential energy surface   Theoretical insights into the ultrafast excited-state intramolecular proton transfer (ESIPT) mechanism in a series of amide-based N-H center dot center dot center dot N hydrogen-bonding compounds 期刊论文 ORGANIC ELECTRONICS, 2017, 卷号: 45, 页码: 1-8 作者:  An, Beibei[1];  Feng, Songyan[2];  Wen, Keke[3];  Wu, Wenpeng[4];  Yuan, Huijuan[5] 收藏  |  浏览/下载：15/0  |  提交时间：2019/12/23 ESIPT  DET  TD-DFF  Topological analysis  Potential energy surface   Theoretical insights into the excited-state intramolecular proton transfer (ESIPT) mechanism in a series of amino-type hydrogen-bonding dye molecules bearing the 10-aminobenzo[h]quinoline chromophore 期刊论文 DYES AND PIGMENTS, 2017, 卷号: 141, 页码: 195-201 作者:  Zhu, Qiuling[1];  Wen, Keke[2];  Feng, Songyan[3];  Wu, Wenpeng[4];  An, Beibei[5] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 ESIPT  DFT  TD-DFT  Topological analysis  Potential energy surface