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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
Complexation of trivalent lanthanides and actinides with diethylenetriaminepentaacetic acid: Theoretical unraveling of bond covalency
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 299
作者:
Chen, Yan-Mei
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
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浏览/下载:70/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
ELECTRON-DENSITY
STRUCTURAL DETERMINATION
OPTICAL SPECTROSCOPY
METAL-COMPLEXES
BASIS-SETS
ENERGY
EXTRACTION
SEPARATION
9-COORDINATE
Theoretical Insights into Modification of Nitrogen-Donor Ligands to Improve Performance on Am(III)/Eu(III) Separation
期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 5, 页码: 3221-3231
作者:
Chen, Yan-Mei
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
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  |  
浏览/下载:65/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
EFFICIENT SEPARATION
VALENCE INDEXES
MINOR ACTINIDES
COMPLEXATION
EXTRACTION
LANTHANIDES
SELECTIVITY
COVALENCY
DESIGN
Effects of co-doping on electronic structure and optical properties of 3C-SiC from first-principles method
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170
作者:
Lu, Xuefeng
;
Zhao, Tingting
;
Lei, Qingfeng
;
Yan, Xiaobin
;
Ren, Junqiang
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  |  
浏览/下载:11/0
  |  
提交时间:2020/06/02
3C-SiC
First principles
Co-doping
Electronic structure
Optical properties
Theoretical analyses of chemical bonding in terminal EThF2 (E = O, S, Se, Te)
期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2019, 卷号: 30, 期号: 5, 页码: —
作者:
Li, YL
;
Xiong, XG
;
Liu, HT
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浏览/下载:46/0
  |  
提交时间:2019/12/30
SMALL-CORE PSEUDOPOTENTIALS
MATRIX INFRARED-SPECTRA
ELECTRONIC-STRUCTURE
SOLID ARGON
ACTINIDE
THORIUM
SPECTROSCOPY
LANTHANIDE
COVALENCY
ATOMS
Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor
期刊论文
NATURE COMMUNICATIONS, 2019, 卷号: 10, 页码: -
作者:
Guan, DQ
;
Zhou, J
;
Huang, YC
;
Dong, CL
;
Wang, JQ
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/10/16
OXYGEN EVOLUTION REACTION
ENERGY SCALING RELATIONS
METAL-COMPOUNDS
OXIDES
ELECTROCATALYSIS
CATALYSIS
OXIDATION
Understanding am3+/cm3+ separation with h(4)tpaen and its hydrophilic derivatives: a quantum chemical study
期刊论文
Physical chemistry chemical physics, 2018, 卷号: 20, 期号: 20, 页码: 14031-14039
作者:
Huang, Pin-Wen
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Song, Gang
收藏
  |  
浏览/下载:74/0
  |  
提交时间:2019/04/23
Theoretical studies on the synergistic extraction of am3+ and eu3+ with cmpo-hdehp and cmpo-heh[ehp] systems
期刊论文
Dalton transactions, 2018, 卷号: 47, 期号: 15, 页码: 5474-5482
作者:
Huang, Pin-Wen
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Song, Gang
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  |  
浏览/下载:51/0
  |  
提交时间:2019/04/23
Role of the X and n factors in ion-irradiation induced phase transformations of M(n+1)AX(n) phases
期刊论文
ACTA MATERIALIA, 2018, 卷号: 144, 页码: 432-446
作者:
Wang, CX
;
Yang, TF
;
Tracy, CL
;
Xiao, JR
;
Liu, SS
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  |  
浏览/下载:33/0
  |  
提交时间:2018/06/05
Augmented-wave Method
Max Phases
Structural Transitions
Electronic-structure
Damage Evolution
Ti3alc2
Ti2alc
Ti3sic2
Ceramics
Ti4aln3
Uncovering the impact of 'capsule' shaped amine-type ligands on am(iii)/eu(iii) separation
期刊论文
Physical chemistry chemical physics, 2018, 卷号: 20, 期号: 2, 页码: 1030-1038
作者:
Huang, Pin-Wen
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  |  
浏览/下载:37/0
  |  
提交时间:2019/04/23
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