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浏览/检索结果: 共8条，第1-8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 Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds 期刊论文 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376 作者:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng 收藏  |  浏览/下载：55/0  |  提交时间：2019/06/25 ESIPT  intramolecular hydrogen bond  IR spectra  MOs  potential energy curves   Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文 STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773 作者:  Zhang, Qiaoli;  Zhao, Jinfeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan 收藏  |  浏览/下载：151/0  |  提交时间：2019/06/20 Intramolecular hydrogen bond  Frontier molecular orbital  Charge density difference  Excited state proton transfer  Transition state   Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文 STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng 收藏  |  浏览/下载：23/0  |  提交时间：2019/06/20 Hydrogen bond  Charge density difference  ESIPT  Potential energy curves   Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds 期刊论文 Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng 收藏  |  浏览/下载：29/0  |  提交时间：2019/05/08 Hydrogen bond  Charge density difference  Esipt  Potential energy curves   Bandgap control and optical properties of beta-Si3N4 by single- and co-doping from a first-principles simulation 期刊论文 INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: 32, 期号: 14 作者:  Lu, Xuefeng;  Gao, Xu;  Ren, Junqiang;  Li, Cuixia;  Guo, Xin 收藏  |  浏览/下载：15/0  |  提交时间：2019/11/15 First-principles  bandgap tailoring  absorption spectra  dielectric constant  hexagonal silicon nitride   Theoretical Studies on Electronic Structures and Spectroscopic Properties of 1,3-Diazaazulene Derivatives 期刊论文 CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2008, 卷号: 29, 期号: 11, 页码: 2277-2280 作者:  Li Man-Yu;  Zhu Yun-Ji;  Ai Xi-Cheng;  Sun Meng-Tao;  Zhang Jian-Ping 收藏  |  浏览/下载：15/0  |  提交时间：2019/04/09 Intra-molecular Charge Transfer  Transition Density (Td)  Charge Difference Density (Cdd)  Electron-hole Coherence  1  3-diazaazulene Derivative   Direct characterization of focusing light by negative refraction in a photonic crystal flat lens 期刊论文 APPLIED PHYSICS LETTERS, 2008, 卷号: 93, 期号: 19 Tian, J; Yan, M; Qiu, M; Ribbing, CG; Liu, YZ; Zhang, DZ; Li, ZY 收藏  |  浏览/下载：12/0  |  提交时间：2013/09/17 WAVE-GUIDES  SILICON  FABRICATION  SLABS   Theoretical Studies on Electronic Structures and Spectroscopic Properties of 1,3-Diazaazulene Derivatives 期刊论文 CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2008, 卷号: 29, 期号: 11, 页码: 2277 Li, MY; Zhu, YJ; Ai, XC; Sun, MT; Zhang, JP 收藏  |  浏览/下载：21/0  |  提交时间：2013/09/23 EXCITED-STATE  AZULENE  CYCLOHEPTIMIDAZOLES  MOLECULES