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A density functional theory study on the interaction between UO22+ and the carbamoylphosphoramidic acid ligand for uranium extraction from seawater 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2018, 卷号: 29, 期号: 6, 页码: -
Authors:  Guo, XJ;  Li, C;  Hu, JT;  Ma, HJ;  Qian, HL
View  |  Adobe PDF(1286Kb)  |  Favorite  |  View/Download:103/24  |  Submit date:2018/09/06
Ab-initio Pseudopotentials  Sequestering Uranium  Dft Investigations  Parameter Sets  Uranyl-ion  Energy  Complexes  Actinides  Potentials  Solvation  
DFT investigations of uranium complexation with amidoxime-, carboxyl- and mixed amidoxime/carboxyl-based host architectures for sequestering uranium from seawater 期刊论文
INORGANICA CHIMICA ACTA, 2016, 卷号: 441, 期号: -, 页码: 117—125
Authors:  Guo, XJ;  Xiong, XG;  Li, C;  Gong, HF;  Huai, P;  Hu, JT;  Jin, C;  Huang, LL;  Wu, GZ;  Guo, XJ (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
View  |  Adobe PDF(1169Kb)  |  Favorite  |  View/Download:148/46  |  Submit date:2016/09/12
Ab-initio Pseudopotentials  Sea-water  Methacrylic-acid  Parameter Sets  Uranyl-ion  Density  Recovery  Extraction  Acrylonitrile  Coordination  
Optimum complexation of uranyl with amidoxime in aqueous solution under different pH levels: density functional theory calculations 期刊论文
MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 11, 页码: 1327—1336
Authors:  Guo, XJ;  Wang, YX;  Li, C;  Huai, P;  Wu, GZ
View  |  Adobe PDF(777Kb)  |  Favorite  |  View/Download:109/22  |  Submit date:2015/12/09
Sea-water  Polymeric Adsorbent  Parameter Sets  Packed-bed  Uranium  Seawater  Adsorption  Pseudopotentials  Extraction  Recovery  
Sequestering uranium from UO2(CO3)(3)(4-) in seawater with amine ligands: density functional theory calculations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 22, 页码: 14662—14673
Authors:  Guo, XJ;  Huang, LL;  Li, C;  Hu, JT;  Wu, GZ;  Huai, P
View  |  Adobe PDF(1983Kb)  |  Favorite  |  View/Download:134/24  |  Submit date:2015/12/09
Retention Properties  Heavy-metals  Polyethyleneimine Supports  Sea-water  Parameter Sets  Resins  Recovery  Amidoxime  Energy  Pseudopotentials