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Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/01/08
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method
期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:
He YY(何雨旸)
;
Gao,Caihong
;
Wei,Wei
;
Liu,Yun
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Self-assembly and controllable synthesis of high-rate porous NiCo2S4 electrode materials for asymmetric supercapacitors
期刊论文
Journal of Electroanalytical Chemistry, 2022, 卷号: 921
作者:
Xu, Hui
;
Chen, Pengdong
;
Zhu, Yuanqiang
;
Bao, Yuanhai
;
Ma, Ji
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/09/22
Citric acid
Electric discharges
Electrochemical properties
Electrodes
Mesoporous materials
Microspheres
Morphology
Nickel compounds
Self assembly
Asymmetric supercapacitor
Controllable synthesis
Electrode material
High electrical conductivity
High rate
High-rate performance
Mesoporous microspheres
Self-assembly synthesis
Solvent ratios
Water-ethanol
Density functional theory calculations of nitrogen and oxygen equilibrium isotope fractionations in NO3--NO2--H2O aqueous system reveal inverse kinetic isotope effects during nitrite oxidation
期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 139, 页码: 11
作者:
He, Yuyang
;
Li, Long
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  |  
浏览/下载:19/0
  |  
提交时间:2022/07/18
Reduced partition function ratio
Nitrate reduction
Water-droplet model
Solvent effect
Inverse kinetic isotope effect
Experimental and DFT studies on corrosion protection performance of epoxy/graphene quantum dots@TiO2 nanotubes coatings
期刊论文
CONSTRUCTION AND BUILDING MATERIALS, 2022, 卷号: 322, 页码: 13
作者:
Ji, Xiaohong
;
Seif, Abdolvahab
;
Duan, Jizhou
;
Rashidi, Alimorad
;
Zhou, Ziyang
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  |  
浏览/下载:16/0
  |  
提交时间:2022/04/12
GQD@TNT nanohybrids
Silane modification
Long-term corrosion resistance
Epoxy coating
DFT study
A review on analysis methods, source identification, and cancer risk evaluation of atmospheric polycyclic aromatic hydrocarbons
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 789, 页码: 18
作者:
Famiyeh, Lord
;
Chen, Ke
;
Xu, Jingsha
;
Sun, Yong
;
Guo, Qingjun
收藏
  |  
浏览/下载:101/0
  |  
提交时间:2021/11/05
Polycyclic aromatic hydrocarbons
Analysis methods
Source identification
Receptor models
Compound-specific isotopic analysis
Cancer risk evaluation
Recovery of Co, Ni, and Li from solutions by solvent extraction with beta-diketone system
期刊论文
HYDROMETALLURGY, 2021, 卷号: 204
作者:
Zhang, Licheng
;
Ji, Lianmin
;
Li, Lijuan
;
Shi, Dong
;
Xu, Taoshan
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  |  
浏览/下载:16/0
  |  
提交时间:2022/03/28
Fabrication of Regenerated Cellulose Fibers with Good Strength and Biocompatibility from Green Spinning Process of Ionic Liquid
期刊论文
MACROMOLECULAR MATERIALS AND ENGINEERING, 2021, 页码: 10
作者:
Zhou, Le
;
Kang, Zhaoqing
;
Nie, Yi
;
Li, Liying
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/08/31
regenerated cellulose fibers
dry‐
jet wet spinning
Ioncell process
ionic liquids
draw ratios
Recovery of lithium from salt lake brine using a mixed ternary solvent extraction system consisting of TBP, FeCl3 and P507
期刊论文
HYDROMETALLURGY, 2020, 卷号: 197, 页码: 9
作者:
Su, Hui
;
Li, Zheng
;
Zhang, Jian
;
Zhu, Zhaowu
;
Wang, Lina
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/03/29
Ternary solvent extraction
Lithium
Salt lake brine
TBP
P507
Stripping
Characteristics and Source Apportionment of VOCs in a City with Complex Pollution in China
期刊论文
AEROSOL AND AIR QUALITY RESEARCH, 2020, 卷号: 20, 期号: 10, 页码: 2196-2210
作者:
Wang, Yu
;
Yang, Guang
;
Wang, Litao
;
Zhao, Le
;
Ji, Shangping
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  |  
浏览/下载:39/0
  |  
提交时间:2020/12/29
Volatile organic compounds
Chemical reactivity
Ozone formation
Source apportionment
Handan city
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