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Quantum chemical studies of selective back-extraction of Am(III) from Eu(III) and Cm(III) with two hydrophilic 1,10-phenanthroline-2,9-bis-triazolyl ligands
期刊论文
RADIOCHIMICA ACTA, 2020, 卷号: 108, 期号: 7, 页码: 517-526
作者:
Huang, Pin-Wen
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
收藏
  |  
浏览/下载:67/0
  |  
提交时间:2020/12/16
N,N,N',N'-TETRAOCTYL DIGLYCOLAMIDE
TRIVALENT ACTINIDES
SOLVENT-EXTRACTION
SEPARATION
COMPLEXATION
DENSITY
LANTHANIDES
ENERGY
BONDS
APPROXIMATION
Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies
期刊论文
ACS OMEGA, 2020, 卷号: 5, 期号: 7, 页码: 3151-3164
作者:
Dagdag, Omar
;
Safi, Zaki
;
Qiang, Yujie
;
Erramli, Hamid
;
Guo, Lei
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  |  
浏览/下载:64/0
  |  
提交时间:2020/12/16
CORROSION INHIBITION PERFORMANCE
MOLECULAR-DYNAMICS SIMULATION
DENSITY-FUNCTIONAL THEORY
CARBON-STEEL CORROSION
MILD-STEEL
SCHIFF-BASE
HCL MEDIUM
STEREOCHEMICAL CONFORMATION
QUINOLINE DERIVATIVES
ABSOLUTE HARDNESS
Coordination behavior of uranyl with PDAM derivatives in solution: Combined study with ESI-MS and DFT
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 300
作者:
Kong, Xiang-He
;
Wu, Qun-Yan
;
Zhang, Xin-Rui
;
Wang, Cui
;
Hu, Kong-Qiu
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  |  
浏览/下载:7/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
DENSITY-FUNCTIONAL THEORY
SELECTIVE EXTRACTION
MASS-SPECTROMETRY
LIGAND
COMPLEXES
ACTINIDES
SEPARATION
ELEMENTS
EU(III)
Novel photocatalytic performance of nanocage-like MIL-125-NH2 induced by adsorption of phenolic pollutants
期刊论文
ENVIRONMENTAL SCIENCE-NANO, 2020, 卷号: 7, 期号: 5, 页码: 1525-1538
作者:
Shen, Yi
;
Zhu, Chao
;
Chen, Baoliang
;
Chen, Jianmeng
;
Fang, Qile
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  |  
浏览/下载:9/0
  |  
提交时间:2020/12/16
METAL-ORGANIC FRAMEWORKS
FENTON-LIKE CATALYSTS
CARBON NANOTUBES
FACILE SYNTHESIS
GRAPHENE
DEGRADATION
TIO2
SURFACE
NANOPARTICLES
RECOMBINATION
Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS
期刊论文
ANALYTICAL CHEMISTRY, 2018, 卷号: 90, 期号: 5, 页码: 3341-3348
作者:
Borodin, O
;
Zhang, YY
;
Su, M
;
Yu, XF
;
Zhou, YF
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  |  
浏览/下载:36/0
  |  
提交时间:2018/12/27
CARBONATE-BASED ELECTROLYTES
DENSITY-FUNCTIONAL THEORY
MASS-SPECTROMETRY
BATTERY ELECTROLYTES
PROPYLENE CARBONATE
LI-ION
PREFERENTIAL SOLVATION
INTERPHASIAL CHEMISTRY
MOLECULAR-DYNAMICS
ETHYLENE CARBONATE
Metallic coordination selectivity effect in the trinuclear M-3(RCOO)(6) secondary building units of three layer metal-carboxylate frameworks
期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 18, 页码: 14522-14530
作者:
Wang, Xiao-Feng
;
Wang, Hongqing
;
Wang, Shuhong
;
Li, Jun
;
Li, Shenbiao
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  |  
浏览/下载:30/0
  |  
提交时间:2016/12/27
Selective Extraction of Americium(III) over Europium(III) with the Pyridylpyrazole Based Tetradentate Ligands: Experimental and Theoretical Study
期刊论文
INORGANIC CHEMISTRY, 2015, 卷号: 54, 期号: 22, 页码: 10648-10655
作者:
Wang
;
JR
;
Su
;
DP
;
Wang DQ(王东琪)
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2016/04/18
Competitive Adsorption of Pb-II, Ni-II, and Sr-II Ions on Graphene Oxides: A Combined Experimental and Theoretical Study
期刊论文
CHEMPLUSCHEM, 2015, 卷号: 80, 期号: 3, 页码: 480-484
作者:
Yang, SB
;
Chen, CL
;
Chen, Y
;
Li, JX
;
Wang, DQ
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2016/04/18
adsorption
density functional calculations
graphene
lead
nickel
Theoretical studies on the AnO(2)(n+) (An = U, Np; n=1, 2) complexes with di-(2-ethylhexyl) phosphoric acid
期刊论文
DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 7, 页码: 3227-3236
作者:
Luo J(罗娟)
;
Wang CZ(王聪芝)
;
Lan JH(蓝建慧)
;
Wu QY(吴群燕)
;
Zhao YL(赵宇亮)
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2016/04/18
Performance of Twelve Density Functional Theory Methods in the Characterization of Three Trivalent Uranium Complexes
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2015, 卷号: 31, 期号: 7, 页码: 1283-1301
作者:
Ding, WJ
;
Fang, WH
;
Chai ZF(柴之芳)
;
Wang DQ(王东琪)
;
Chai, ZF
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2016/04/18
Density functional theory
Trivalent uranium complex
Computational actinide chemistry
QTAIM
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