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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
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  |  
浏览/下载:13/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Development of novel experimental and modelled low density polyethylene (LDPE)-water partition coefficients for a range of hydrophobic organic compounds
期刊论文
Environmental Pollution, 2021, 卷号: 291
作者:
Zhu, Tengyi
;
W., Chen
;
C.T., Jafvert
;
D., Fu
;
H., Cheng
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  |  
浏览/下载:15/0
  |  
提交时间:2022/02/17
Hydrophobicity
Micelles
Nonionic surfactants
Reliability analysis
Solubility
Aqueous phasis
Hydrophobic organic compound
In-silico models
Low density polyethylene-water partition coefficient
Measured values
Micelle-water partition coefficient
Polymer phase
W-value
Water partition coefficients
Development of novel experimental and modelled low density polyethylene (LDPE)-water partition coefficients for a range of hydrophobic organic compounds
期刊论文
ENVIRONMENTAL POLLUTION, 2021, 卷号: 291
作者:
Zhu, Tengyi
;
Chen, Wenxuan
;
Jafvert, Chad T.
;
Fu, Dafang
;
Cheng, Haomiao
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  |  
浏览/下载:13/0
  |  
提交时间:2021/12/17
HOCs
Surfactant
Micelle-water partition coefficient
LDPE-Water partition coefficients
In silico models
Explorations on footprints of salt-rich fluid and salt-depleted fluid immiscibility in hydrothermal systems: Insights from divergent partitioning of sulfate and perchlorate in the ZnSO4-Zn(ClO4)(2)-H2O system
期刊论文
CHEMICAL GEOLOGY, 2021, 卷号: 584, 页码: 10
作者:
Wan, Ye
;
Chou, I-Ming
;
Wang, Xiaolin
;
Sun, Xiaoming
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  |  
浏览/下载:62/0
  |  
提交时间:2021/11/16
Partitioning behaviors
Fluid immiscibility
Hydrothermal fluid
Geological indicator
Raman quantification
Enhanced separation of praseodymium and neodymium by kinetic "push and pull" system of [A336][NO3]-DTPA in a column extractor
期刊论文
JOURNAL OF RARE EARTHS, 2020, 卷号: 38, 期号: 2, 页码: 203-212
作者:
Wang, Xiaoqin
;
Huang, Kun
;
Cao, Wenjuan
;
Sun, Pan
;
Sui, Na
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  |  
浏览/下载:20/0
  |  
提交时间:2020/03/24
Praseodymium
Neodymium
Kinetic separation
[A336][NO3]
DTPA
Rare earths
Enhanced separation of praseodymium and neodymium by kinetic “push and pull” system of A336NO_3-DTPA in a column extractor
期刊论文
Journal of Rare Earths, 2020, 卷号: 38, 期号: 2, 页码: 203
作者:
Wang Xiaoqin
;
Huang Kun
;
Cao Wenjuan
;
Sun Pan
;
Sui Na
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/03/29
Praseodymium
Neodymium
Kinetic separation
A336NO_3
DTPA
Rare earths
Separation of adjacent rare earth elements enhanced by "external push-pull" extraction system: An example for the separation of Pr and Nd
期刊论文
HYDROMETALLURGY, 2019, 卷号: 189, 页码: 9
作者:
Sun, Pan
;
Huang, Kun
;
Liu, Huizhou
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/03/24
Rare earth
Pr and Nd
Separation
Push-pull effect
Enantioselective determination of ketamine in dog plasma by chiral liquid chromatography-tandem mass spectrometry
期刊论文
BIOMEDICAL CHROMATOGRAPHY, 2019, 卷号: 33, 期号: 9, 页码: 8
作者:
Li, Ranran
;
Zhong, Kan
;
Jiang, Jinfang
;
Zhan, Yuan
;
Chen, Xiaoyan
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
chiral stationary phases
enantioselective LC-MS
MS
ketamine
stereoselective pharmacokinetics
Corrosion behavior of 20# steel at initial stage under the (CO2/aqueous solution) gas-liquid two-phase plug flow condition
期刊论文
MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 6
作者:
Yang Gui-rong
;
Zhu Zi-bo
;
Song Wen-ming
;
Li Ya-min
;
Ma Ying
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/11/15
CO2 corrosion of initial stage
two-phase plug flow
characteristic of corrosion products
mechanism of corrosion behavior
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