镤、镎溶液化学的多尺度模拟

91226105
2012
A3010.核技术在其它领域中的应用
王东琪
重大研究计划
教授
中国科学院高能物理研究所
85万元
镎溶液化学;多尺度模拟;计算化学;锕系元素;镤
2013-01-01到2015-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Performance of Twelve Density Functional Theory Methods in the Characterization of Three Trivalent Uranium Complexes 期刊论文 Ding, Wan-Jian|Fang, Wei-Hai|Chai, Zhi-Fang|Wang, Dong-Qi|
2 Selective Extraction of Americium(III) over Europium(III) with the Pyridylpyrazole Based Tetradentate Ligands: Experimental and Theoretical Study. 期刊论文 Huang, Huang|Hu, Xiaoyang|Wang, Zhipeng|Li, Shimeng|
3 Theoretical investigation on the mechanism and dynamics of oxo exchange of neptunyl(VI) hydroxide in aqueous solution 期刊论文 Yang, Xia|Chai, Zhifang|Wang, Dongqi|
4 Does NHC Directly Participate in the CO2 Insertion into the UIII–N Bond? A Density Functional Theory Study 期刊论文 Ding, Wanjian|Wang, Dongqi|
5 Influence of Bridging Group and Substitution Effect of Bis(1,2,4-Triazine) N-Donor Extractants on Their Interactions with Neptunium (V) Cation 期刊论文 Ding, Songdong|Li, Shoujian|Chai, Zhifang|Wang, Dongqi|
6 Adsorption of uranyl on hydroxylated alpha-SiO(2)(001): a first-principle study. 期刊论文 Wang, Hui|Chai, Zhifang|Wang, Dongqi|
7 Hydrocarbon chain growth and hydrogenation on V(100): A density functional theory study 期刊论文 Wang, Hui|Liu, Jing-Yao|Chai, Zhifang|Wang, Dongqi|
8 Advances in computational actinide chemistry in China 期刊论文 Su, Jing|Wu, Jingyi|Li, Jun|Chai, Zhifang|
9 A density functional theory study of the competitive complexation of pyridine against H2O and Cl- to Cm3+ and Ce4+ 期刊论文 Zhuxiang Wang|Taiwei Chu|Zhifang Chai|Dongqi Wang|
10 Influence of a Bridging Group and the Substitution Effect of Bis(1,2,4-triazine) N-Donor Extractants on Their Interactions with a Np-V Cation 期刊论文 Ding, Songdong|Li, Shoujian|Chai, Zhifang|Wang, Dongqi|
11 A computational study on the complexation of Np(v) with N,N,N',N '-tetramethyl-3-oxa-glutaramide (TMOGA) and its carboxylate analogs 期刊论文 Liu, Ning|Yang, Yuanyou|Chai, Zhifang|Wang, Dongqi|
12 A benchmark study of DFT methods on the electronic properties of lanthanofullerenes: a case study of Ce@C-2v(9)-C-82 anion 期刊论文 Wu, Jingyi|Chai, Zhifang|Wang, Dongqi|
13 A benchmark study of DFT methods on the electronic properties of lanthanofullerenes: a case study of Ce@C2v(9)-C82 anion. 期刊论文 Wu, Jingyi|Chai, Zhifang|Wang, Dongqi|
14 腐殖酸与锕系金属离子相互作用的研究进展 期刊论文 王会|柴之芳|王东琪|
15 Computational thermodynamic study on the complexes of Am(III) with tridentate N-donor ligands 期刊论文 Li,Shoujian|Wang,Fan|Chai,Zhifang|Wang,Dongqi|
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