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科研机构
河南大学 [12]
内容类型
期刊论文 [11]
会议论文 [1]
发表日期
2017 [1]
2015 [8]
2014 [2]
2013 [1]
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专题:河南大学
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A facile method to synthesis high-quality CdSe quantum dots for large and tunable nonlinear absorption
期刊论文
OPTICAL MATERIALS, 2017, 卷号: 66, 页码: 59-64
作者:
Cao, Yawan[1]
;
Wang, Chong[2]
;
Zhu, Baohua[3]
;
Gu, Yuzong[4]
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/23
CdSe nanocrystals
Nonlinearity
Growth time
Z-scan
Resonance absorption
Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation
期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 卷号: 54, 期号: 33, 页码: 8093-8099
作者:
Li, Ya[1]
;
Wang, Li[2]
;
Huang, Tengfei[3]
;
Zhang, Jinglai[4]
;
He, Hongqing[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Mechanism of fixation of CO2 with an epoxide catalyzed by ZnBr2 and a choline chloride co-catalyst: a DFT study
期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 67, 页码: 54266-54274
作者:
Huang, Tengfei[1]
;
Fang, Lei[2]
;
Li, Ya[3]
;
He, Hongqing[4]
;
Wang, Li[5]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/23
Catalytic mechanism of human N-acetylserotonin methyltransferase: a theoretical investigation
期刊论文
MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 22, 页码: 3438-3449
作者:
Wang, Li[1]
;
Zhang, Ting[2]
;
Li, Jieqiong[3]
;
He, Chaozheng[4]
;
He, Hongqing[5]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
human N-acetylserotonin methyltransferase
DFT
deprotonation
S-adenosyl-L-methionine
methyl-transfer mechanism
Effect of TiO2 particles on normal and resonance Raman spectra of coumarin 343: a theoretical investigation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 16, 页码: 10910-10918
作者:
Yang, Linzhi[1]
;
Wu, Wenpeng[2]
;
Zhao, Yi[3]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
Synergistic effect of single-electron-trapped oxygen vacancies and carbon species on the visible light photocatalytic activity of carbon-modified TiO2
期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2015, 卷号: 153, 页码: 117-126
作者:
Wang, Xiaodong[1]
;
Xue, Xiaoxiao[2]
;
Liu, Xiaogang[3]
;
Xing, Xing[4]
;
Li, Qiuye[5]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
Oxides
Semiconductors
Heat treatment
Electron resonance
Adsorption
Elucidation of hydrogen-release mechanism from methylamine in the presence of borane, alane, diborane, dialane, and borane-alane
期刊论文
MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 1, 页码: 79-88
作者:
Wang, Li[1]
;
Zhang, Ting[2]
;
He, Hongqing[3]
;
Zhang, Jinglai[4]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
reaction mechanisms
hydrogen elimination
catalysis
Dual emission behavior of phenyleneethynylene gold(I) complexes dictated by intersystem crossing: A theoretical perspective
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 137, 页码: 259-266
作者:
Wang, Li[1]
;
Li, Yuanyuan[2]
;
Zhang, Yanxin[3]
;
He, Hongqing[4]
;
Zhang, Jinglai[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Gold(I) complexes
ISC
Dual emission
Delayed fluorescence
TD-DFT
CASSCF
Tuning the electronic and phosphorescence properties of blue-emitting iridium(III) complexes through different cyclometalated ligand substituents: a theoretical investigation
期刊论文
DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 18, 页码: 8577-8589
作者:
Li, Jieqiong[1]
;
Zhang, Qing[2]
;
He, Hongqing[3]
;
Wang, Li[4]
;
Zhang, Jinglai[5]
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/23
A theoretical study on the mechanism and dynamics of reactions (CF3)(2)CHOCH2F/(CF3)(2)CHOCHF2 with OH radical
期刊论文
MOLECULAR PHYSICS, 2014, 卷号: 112, 期号: 22, 页码: 2987-2996
作者:
Wang, Chunzhang[1]
;
Wen, Jinmiao[2]
;
He, Hongqing[3]
;
Wang, Li[4]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
direct dynamics method
density functional theory
rate constants
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