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Adsorption of CH3I on Ag(111) and Ag2O(111) surface: A density functional theory study 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 513, 页码: 35-40
Authors:  Yang, L;  Zhao, YL;  Li, K;  Chen, ZC;  Zhang, P;  Shi, WQ;  Shi WQ(石伟群)
Adobe PDF(1351Kb)  |  Favorite  |  View/Download:135/0  WOS cited times:[0]  ADS cited times:[0]  |  Submit date:2019/09/24
CH3I molecule  Ag(111)  Ag2O(111)  Surface adsorption  DFT calculation  
First-principles study of water reacting with the (110) surface of uranium mononitride 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2017, 卷号: 492, 页码: 244-252
Authors:  Bo T(薄涛);  Lan JH(蓝建慧);  Bo, T;  Lan, JH;  Zhao, YL;  He, CH;  Chai, ZF;  Shi, WQ;  Chai ZF(柴之芳);  Shi WQ(石伟群)
Adobe PDF(3001Kb)  |  Favorite  |  View/Download:95/0  WOS cited times:[0]  ADS cited times:[4]  |  Submit date:2019/08/27
First principles  Uranium mononitride  Surface adsorption  Water  ab initio atomistic thermodynamic  
Theoretical studies on the complexation of Eu(III) and Am(III) with HDEHP: structure, bonding nature and stability 期刊论文
SCIENCE CHINA-CHEMISTRY, 2016, 卷号: 59, 期号: 3, 页码: 324-331
Authors:  Luo J(罗娟);  Wang CZ(王聪芝);  Lan JH(蓝建慧);  Wu QY(吴群燕);  Zhao YL(赵宇亮);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Luo, J;  Wang, CZ;  Lan, JH;  Wu, QY;  Zhao, YL;  Chai, ZF;  Nie, CM;  Shi, WQ
Adobe PDF(813Kb)  |  Favorite  |  View/Download:481/0  WOS cited times:[0]  |  Submit date:2016/08/29
density functional theory  di-(2-ethylhexyl) phosphoric acid  actinide  lanthanide  solvent extraction  
Theoretical studies on the complexation of Eu(III) and Am(III) with HDEHP: structure, bonding nature and stability 期刊论文
SCIENCE CHINA-CHEMISTRY, 2016, 卷号: 59, 期号: 3, 页码: 324-331
Authors:  Luo J(罗娟);  Wang CZ(王聪芝);  Lan JH(蓝建慧);  Wu QY(吴群燕);  Zhao YL(赵宇亮);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Luo;  J.;  C. Wang;  J. Lan;  Q. Wu;  Y. Zhao;  Z. Chai;  C. Nie and W. Shi
Adobe PDF(812Kb)  |  Favorite  |  View/Download:528/0  WOS cited times:[0]  |  Submit date:2016/04/18
density functional theory  di-(2-ethylhexyl) phosphoric acid  actinide  lanthanide  solvent extraction  
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
Authors:  Luo J(罗娟);  Wang CZ(王聪芝);  Lan JH(蓝建慧);  Wu QY(吴群燕);  Zhao YL(赵宇亮);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Luo, J;  Wang, CZ;  Lan, JH;  Wu, QY;  Zhao, YL;  Chai, ZF;  Nie, CM;  Shi, WQ
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New Insight of Coordination and Extraction of Uranium(VI) with N-Donating Ligands in Room Temperature Ionic Liquids: N,N '-Diethyl-N,N '-ditolyldipicolinamide as a Case Study 期刊论文
INORGANIC CHEMISTRY, 2015, 卷号: 54, 期号: 4, 页码: 1992-1999
Authors:  Yuan LY(袁立永);  Sun M(孙曼);  Mei L(梅雷);  Wang L(王琳);  Zheng LR(郑黎荣);  Gao ZQ(高增强);  Zhang J(张静);  Zhao YL(赵宇亮);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Yuan, LY;  Sun, M;  Mei, L;  Wang, L;  Zheng, LR;  Gao, ZQ;  Zhang, J;  Zhao, YL;  Chai, ZF;  Shi, WQ
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Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration 期刊论文
CRYSTENGCOMM, 2015, 卷号: 17, 期号: 15, 页码: 3031-3040
Authors:  Zhu LZ(祝刘正);  Wang CZ(王聪芝);  Mei L(梅雷);  Wang L(王琳);  Zhao YL(赵宇亮);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Zhu, LZ;  Wang, CZ;  Mei, L;  Wang, L;  Liu, YH;  Zhu, ZT;  Zhao, YL;  Chai, ZF;  Shi, WQ
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A Quasi-relativistic Density Functional Theory Study of the Actinyl(VI, V) (An = U, Np, Pu) Complexes with a Six-Membered Macrocycle Containing Pyrrole, Pyridine, and Furan Subunits 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 34, 页码: 9178-9188
Authors:  Lan JH(蓝建慧);  Wang CZ(王聪芝);  Wu QY(吴群燕);  Feng YX(冯一潇);  Zhao YL(赵宇亮);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Lan, JH;  Wang, CZ;  Wu, QY;  Wang, SA;  Feng, YX;  Zhao, YL;  Chai, ZF;  Shi, WQ
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Efficient removal of uranium from aqueous solution by zero-valent iron nanoparticle and its graphene composite 期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2015, 卷号: 290, 页码: 26-33
Authors:  Li ZJ(李子杰);  Wang L(王琳);  Yuan LY(袁立永);  Mei L(梅雷);  Zheng LR(郑黎荣);  Zhang J(张静);  Yang JH(杨巨华);  Zhao YL(赵宇亮);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Li, ZJ;  Wang, L;  Yuan, LY;  Xiao, CL;  Mei, L;  Zheng, LR;  Zhang, J;  Yang, JH;  Zhao, YL;  Zhu, ZT;  Chai, ZF;  Shi, WQ
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Zero-valent iron nanoparticles  Graphene composites  Uranium removal  Reductive precipitation  Hydrolysis precipitation  
The isotopic effects of C-13-labeled large carbon cage (C-70) fullerenes and their formation process 期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 94, 页码: 76949-76956
Authors:  Wang CL(汪称龙);  Ruan LF(阮龙飞);  Chang XL(常雪灵);  Yang ST(杨胜韬);  Guo XH(郭喜红);  Yuan H(袁慧);  Shi WQ(石伟群);  Sun BY(孙宝云);  Zhao YL(赵宇亮);  Wang, CL;  Ruan, LF;  Chang, XL;  Zhang, XL;  Yang, ST;  Guo, XH;  Yuan, H;  Guo, CB;  Shi, WQ;  Sun, BY;  Zhao, YL
Adobe PDF(674Kb)  |  Favorite  |  View/Download:531/7  WOS cited times:[0]  ADS cited times:[2]  |  Submit date:2016/04/18