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科研机构
河南大学 [17]
内容类型
期刊论文 [17]
发表日期
2018 [1]
2017 [7]
2016 [3]
2015 [5]
2013 [1]
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专题:河南大学
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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
Insight into the multiple quasi-molecular states in ethylenediamine reduced graphene nanodots
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 42, 页码: 28653-28665
作者:
Zhang, Wenkai[1]
;
Wang, Yunjing[2]
;
Liu, Xiaohui[3]
;
Meng, Xianrui[4]
;
Xu, Hao[5]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/23
Theoretical insight into the distinct photocatalytic activity between NiOx and CoOx loaded Ta3N5 photocatalyst
期刊论文
APPLIED SURFACE SCIENCE, 2017, 卷号: 405, 页码: 289-297
作者:
Sun, Kenan[1]
;
Li, Yuanyuan[2]
;
Zhang, Qing[3]
;
Wang, Li[4]
;
Zhang, Jinglai[5]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
Photocatalyst
Cocatalyst
DFT calculations
Transition metal oxides
Water adsorption
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 insight into the excited-state intramolecular proton transfer mechanisms of three amino-type hydrogen-bonding molecules
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 175, 页码: 36-42
作者:
An, Beibei[1]
;
Yuan, Huijuan[2]
;
Zhu, Qiuling[3]
;
Li, Yuanyuan[4]
;
Guo, Xugeng[5]
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/23
ESIPT
DFT/ID-DFT
Intramolecular hydrogen bond
Cis-trans isomerization
Potential energy curve
Molecular spectroscopic insight into the binding of batatasin V isomers to human serum albumin
期刊论文
SPECTROSCOPY LETTERS, 2017, 卷号: 50, 期号: 5, 页码: 275-284
作者:
Zhu, Jinhua[1]
;
Chen, Lanlan[2]
;
Hu, Weiping[3]
;
Zhang, Songsong[4]
;
Wu, Dandan[5]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/23
Batatasin V isomers
circular dichroism spectrum
fluorescence spectroscopy
human serum albumin
molecular docking
Insight into regulation of emission color and photo deactivation process from heteroleptic to homoleptic Ir(III) complexes
期刊论文
JOURNAL OF LUMINESCENCE, 2017, 卷号: 183, 页码: 178-184
作者:
Wang, Xin[1]
;
Zheng, Danning[2]
;
Feng, Songyan[3]
;
Wang, Li[4]
;
Li, Junfeng[5]
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/23
Homoleptic
Heteroleptic
Ir(III) complex
Emissiverule
Quantum yield
Insight into the role of weak interaction played in the fixation of CO2 catalyzed by the amino-functionalized imidazolium-based ionic liquids
期刊论文
JOURNAL OF CO2 UTILIZATION, 2017, 卷号: 18, 页码: 156-163
作者:
Chen, Ci[1]
;
Ma, Yuan[2]
;
Zheng, Danning[3]
;
Wang, Li[4]
;
Li, Junfeng[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Amino-functionalized imidazolium-based
ionic liquid
CO2 fixation
Hydrogen bond
Noncovalent interactions
Theoretical insight into the stereometric effect of bisPC(71)BM on polymer cell performance
期刊论文
SCIENCE BULLETIN, 2016, 卷号: 61, 期号: 2, 页码: 139-147
作者:
Wu, Wen-Peng[1]
;
Deng, Lin-Long[2]
;
Li, Xiang[3]
;
Zhao, Yi[4]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
Organic solar cell
BisPC(71)BM
Density functional theory
Electron transfer
Carrier mobility
Insight into the Phosphorescent Process of Cyclometalated Ir(III) Complexes: Combination of the Substituents on Primary and Ancillary Ligands Controls the Emission Rule and Quantum Yield
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 卷号: 120, 期号: 48, 页码: 27523-27532
作者:
Zhang, Qing[1]
;
Wang, Xin[2]
;
Zhang, Yue[3]
;
Wang, Li[4]
;
Li, Junfeng[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
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