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山东大学 [18]
大连化学物理研究所 [9]
大连理工大学 [8]
清华大学 [7]
金属研究所 [7]
上海药物研究所 [5]
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期刊论文 [105]
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Cucumber (Cucumis sativus L.) Leaf Extract as a Green Corrosion Inhibitor for Carbon Steel in Acidic Solution: Electrochemical, Functional and Molecular Analysis
期刊论文
MOLECULES, 2022, 卷号: 27, 期号: 12, 页码: 18
作者:
Feng, Lijuan
;
Zhang, Shanshan
;
Hao, Long
;
Du, Hongchen
;
Pan, Rongkai
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/09/16
carbon steel
extract
green corrosion inhibitor
quantum chemical calculation
Cipacinoids E-O: Eleven limonoids represent two different scaffolds from Cipadessa cinerascens
期刊论文
TETRAHEDRON, 2022, 卷号: 103, 页码: 11
作者:
Yu, Jin-Hai
;
Zhou, Bin
;
Wu, Pei-Qian
;
Liu, Qun-Fang
;
Yue, Jian-Min
收藏
  |  
浏览/下载:61/0
  |  
提交时间:2022/01/04
Limonoids
Cipadessa cinerascen
Structural identification
Quantum-chemical calculation
First-Principles Study of Electronic Properties of SnO2/CsPbI2Br Interface
期刊论文
JOURNAL OF ELECTRONIC MATERIALS, 2021, 卷号: 50, 期号: 4, 页码: -
作者:
Hu, Wei
;
An, Junpeng
;
Si, Fengjuan
;
Xue, Hongtao
;
Tang, Fuling
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2021/03/12
Binding energy
Bromine compounds
Calculations
Chemical bonds
Density functional theory
Electronic properties
Lattice mismatch
Lattice theory
Lead compounds
Perovskite
Perovskite solar cells
Semiconductor quantum wells
Doping modification
First-principles calculation
First-principles study
Heterogeneous interfaces
Interface control
Interface orientation
Microscopic properties
Theoretical research
Kinetic and mechanistic insights into the abatement of clofibric acid by integrated UV/ozone/peroxydisulfate process: A modeling and theoretical study
期刊论文
WATER RESEARCH, 2020, 卷号: 186, 页码: 1-10
作者:
Qin, Wenlei
;
Lin, Zhuang
;
Dong, Huiyu
;
Yuan, Xiangjuan
;
Qiang, Zhimin
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/09/14
UV
Ozone
Peroxydisulfate
Kinetic modeling
Quantum chemical calculation
Optical properties and theoretical study of Mn doped ZnAl2O4 nanoparticles with spinel structure
期刊论文
Journal of Alloys and Compounds, 2020, 卷号: 825
作者:
Huang, Shangpan
;
Wei, Zhiqiang
;
Wu, Xiaojuan
;
Shi, Jiwen
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2022/02/17
Aluminum compounds
Aluminum metallography
Binding energy
Calculations
Enamels
Energy dispersive spectroscopy
Energy gap
Field emission microscopes
Fourier transform infrared spectroscopy
High resolution transmission electron microscopy
Ions
Manganese
Morphology
Nanoparticles
Optical emission spectroscopy
Optical properties
Particle size
Photoelectron spectroscopy
Photoluminescence
Red Shift
Scanning electron microscopy
Semiconductor quantum wells
Synthesis (chemical)
X ray photoelectron spectroscopy
Zinc compounds
Zinc metallography
Energy dispersive X ray spectroscopy
Field emission scanning electron microscopy
First principle calculations
First-principles calculation
Fourier transform infra red (FTIR) spectroscopy
Photoluminescence spectrum
X ray photoemission spectroscopy
ZnAl2O4
Structural determination of eleven new preschisanartane-type schinortriterpenoids from two Schisandra species and structural revision of preschisanartanin J using NMR computation method
期刊论文
CHINESE JOURNAL OF NATURAL MEDICINES, 2019, 卷号: 17, 期号: 12, 页码: 970-981
作者:
Hu Kun
;
Li Xing-Ren
;
Tang Jian-Wei
;
Li Xiao-Nian
;
Puno, Pema-Tenzin
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/03/18
Schisandra sphaerandra
Schisandra rubriflora
Preschisanartane-type schinortriterpenoids
Structural revision
Quantum chemical calculation of NMR parameters
Structures, energetics, and infrared spectra of the cationic monomethylamine clusters
期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 523, 页码: 7-11
作者:
Jiang, Shuai
;
Zhang, Xiaoli
;
Zheng, Xiucheng
;
Kong, Xiangtao
收藏
  |  
浏览/下载:61/0
  |  
提交时间:2019/06/25
Monomethylamine
Structure
Energetics
Infrared photodissociation
Spectroscopy
Quantum chemical calculation
Infrared Photodissociation Spectroscopic and Theoretical Study of [Co(CO2)(n)](+) Clusters
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 2, 页码: 223-228
作者:
Yang, Dong
;
Su, Ming-zhi
;
Zheng, Hui-jun
;
Zhao, Zhi
;
Li, Gang
收藏
  |  
浏览/下载:62/0
  |  
提交时间:2019/06/25
Cationic cobalt
Carbon dioxide
Structure
Infrared photodissociation spectroscopy
Quantum chemical calculation
Preliminary investigation of the degradation mechanism of o, m and p-cresol using sludge-derived carbon nanosheets by catalytic oxidation based on quantum chemistry
期刊论文
CATALYSIS COMMUNICATIONS, 2019, 卷号: 120, 页码: 59-65
作者:
Ma, Lei
;
Jin, Chengyu
;
An, Luyang
;
Huang, Long
;
Li, Linjun
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2019/06/20
Advanced oxidation
Sludge-derived carbon nanosheets
Quantum chemical calculation
Cresols
Preliminary investigation of the degradation mechanism of o, m and p-cresol using sludge-derived carbon nanosheets by catalytic oxidation based on quantum chemistry
期刊论文
Catalysis communications, 2019, 卷号: 120, 页码: 59-65
作者:
Ma, Lei
;
Jin, Chengyu
;
An, Luyang
;
Huang, Long
;
Li, Linjun
收藏
  |  
浏览/下载:79/0
  |  
提交时间:2019/05/08
Advanced oxidation
Sludge-derived carbon nanosheets
Quantum chemical calculation
Cresols
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