机构

• 大连化学物理研究所 [10]
• 金属研究所 [6]
• 物理研究所 [5]
• 化学研究所 [2]
• 上海光学精密机械研究... [2]
• 福建物质结构研究所 [1]
• 更多

采集方式

• OAI收割 [28]
• iSwitch采集 [1]

内容类型

• 期刊论文 [29]

发表日期

• 2019 [5]
• 2017 [3]
• 2014 [2]
• 2012 [1]
• 2010 [2]
• 2009 [2]
• 更多

学科主题

• 半导体物理 [1]

筛选

浏览/检索结果: 共29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发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8 作者:  Xu, Lei;  Zhang, Tianjie;  Yang, Dapeng;  Zhang, Qiaoli   |  收藏  |  浏览/下载：70/0  |  提交时间：2019/12/02 charge redistribution  ESDPT  intramolecular hydrogen bonds  IR vibrational spectra  potential energy curves   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：61/0  |  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;  Yang, Dapeng;  Yang, Guang   |  收藏  |  浏览/下载：64/0  |  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：78/0  |  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   Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810 作者:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L   |  收藏  |  浏览/下载：47/0  |  提交时间：2020/10/16 DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY   A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11 作者:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng 收藏  |  浏览/下载：42/0  |  提交时间：2017/12/20 AIM  ESIPT  IR vibrational spectra  MOs  potential energy curves   A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11 作者:  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Yang, Dapeng 收藏  |  浏览/下载：24/0  |  提交时间：2017/12/20 AIM  ESIPT  IR vibrational spectra  MOs  potential energy curves   Theoretical study on ESIPT mechanism of 2-acetylindan-1,3-dione in hexane and acetonitrile solvents 期刊论文  OAI收割 JOURNAL OF LUMINESCENCE, 2017, 卷号: 183, 页码: 7-12 作者:  Zhang, Meixia;  Zhao, Meiyu;  Song, Peng;  Wei, Qiang;  Zhou, Qiao 收藏  |  浏览/下载：29/0  |  提交时间：2017/10/29 ESIPT  Solvent effect  IR vibrational spectra  MOs  Potential energy curves   2.7 mu m Emission properties of Er3+ doped fluorozirconate glass 期刊论文  OAI收割 glass phys. chem., 2014, 卷号: 40, 期号: 3, 页码: 277 作者:  Huang, Feifei;  Guo, Yanyan;  Ma, Yaoyao;  Hu, Lili;  Zhang, Junjie 收藏  |  浏览/下载：25/0  |  提交时间：2016/11/28 NEAR-INFRARED EMISSION  ENERGY-TRANSFER  VIBRATIONAL-SPECTRA  GERMANATE GLASSES  FLUORIDE GLASS  LIYF4  IONS   2.7 mu m Emission properties of Er3+ doped fluorozirconate glass 期刊论文  OAI收割 glass phys. chem., 2014, 卷号: 40, 期号: 3, 页码: 277 作者:  Huang, Feifei;  Guo, Yanyan;  Ma, Yaoyao;  Hu, Lili;  Zhang, Junjie 收藏  |  浏览/下载：23/0  |  提交时间：2016/11/28 NEAR-INFRARED EMISSION  ENERGY-TRANSFER  VIBRATIONAL-SPECTRA  GERMANATE GLASSES  FLUORIDE GLASS  LIYF4  IONS