机构

• 大连化学物理研究所 [9]
• 物理研究所 [2]
• 化学研究所 [1]

采集方式

• OAI收割 [9]
• iSwitch采集 [3]

内容类型

• 期刊论文 [12]

发表日期

• 2019 [6]
• 2018 [3]
• 2014 [2]
• 2008 [1]

学科主题

筛选

浏览/检索结果: 共12条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents 期刊论文  OAI收割 MOLECULAR PHYSICS, 2019, 页码: 9 作者:  Xu, Lei;  Zhang, Qiaoli;  Zhang, Tianjie;  Yang, Dapeng   |  收藏  |  浏览/下载：97/0  |  提交时间：2019/12/02 Intramolecular hydrogen bond  ESIPT  charge density difference  charge redistribution  solvent polarity   A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7 作者:  Yang, Dapeng;  Song, Xiaoyan;  Zhang, Tianjie;  Gao, Haiyan   |  收藏  |  浏览/下载：60/0  |  提交时间：2019/12/02 charge density difference  dual hydrogen bonds  electronic densities  infrared vibrational spectra  potential energy surfaces   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164 作者:  Song, Xiaoyan;  Zhang, Tianjie;  Zhang, Qiaoli   |  收藏  |  浏览/下载：62/0  |  提交时间：2019/06/20 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation 期刊论文  iSwitch采集 Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164 作者:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：77/0  |  提交时间：2019/05/08 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8 作者:  Song, Xiaoyan;  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Yang, Dapeng   |  收藏  |  浏览/下载：49/0  |  提交时间：2019/06/20 charge density difference  charge redistribution  ESIPT  intramolecular hydrogen bond   Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4h-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4h-chromen-4-one 期刊论文  iSwitch采集 Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8 作者:  Wang, Yusheng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：62/0  |  提交时间：2019/05/08 Charge density difference  Charge redistribution  Esipt  Intramolecular hydrogen bond   Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文  OAI收割 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：159/0  |  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  OAI收割 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：25/0  |  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  iSwitch采集 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：41/0  |  提交时间：2019/05/08 Hydrogen bond  Charge density difference  Esipt  Potential energy curves   Visualized method of chemical enhancement mechanism on SERS and TERS 期刊论文  OAI收割 JOURNAL OF RAMAN SPECTROSCOPY, 2014, 卷号: 45, 期号: 7, 页码: 533 Xia, LX; Chen, MD; Zhao, XM; Zhang, ZL; Xia, JR; Xu, HX; Sun, MT 收藏  |  浏览/下载：45/0  |  提交时间：2015/04/14 visualized method  charge difference density  chemical enhancement  SERS