| 1 |
Sequestering uranium from UO2(CO3)(3)(4-) in seawater with amine ligands: density functional theory calculations
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期刊论文 |
Li, Cheng|Hu, Jiangtao|Wu, Guozhong|Huai, Ping| |
| 2 |
A new phase of ThC at high pressure predicted from a first-principles study
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期刊论文 |
Cheng, Cheng|Han, Han|Ren, Cuilan|Zhu, Zhiyuan| |
| 3 |
Optimum complexation of uranyl with amidoxime in aqueous solution under different pH levels: density functional theory calculations
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期刊论文 |
Wang, Yaxing|Li, Cheng|Huai, Ping|Wu, Guozhong| |
| 4 |
First-principles investigation in the Raman and infrared spectra of sp(3) carbon allotropes
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期刊论文 |
Lv, Shijie|Han, Han|Yin, Yanfeng|Wang, Hui| |
| 5 |
Structural and electronic phase transitions of ThS2 from first-principles calculations
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期刊论文 |
Huai, Ping|Cheng, Cheng|Zhu, Zhiyuan|Chen, Changfeng| |
| 6 |
Adsorption and diffusion of fluorine on Cr-doped Ni(111) surface: Fluorine-induced initial corrosion of non-passivated Ni-based alloy
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期刊论文 |
Zhang, Wei|Cheng, Cheng|Huai, Ping|Zhu, Zhi-Yuan| |
| 7 |
Molecular dynamics studies of the structure of pure molten ThF4 and ThF4-LiF-BeF2 melts
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期刊论文 |
Dai, Jianxing|Long, Dewu|Huai, Ping|Li, Qingnuan| |
| 8 |
Atomistic simulation of the trapping capability of He- vacancy defects at Ni Sigma 3(1(1)over-bar2)[110] grain boundary
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期刊论文 |
Zhang, Wei|Huai, Ping|Lu, Wei|Zhu, Zhiyuan| |
| 9 |
Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons
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期刊论文 |
Ren, Cui-Lan|Wang, Chang-Ying|Shao, Kuan|Huai, Ping| |
| 10 |
First-principle investigation of the structure and vibrational spectra of the local structures in LiF-BeF2 Molten Salts
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期刊论文 |
Dai, Jianxing|Han, Han|Li, Qingnuan|Huai, Ping| |
| 11 |
Theoretical study of the interaction between metallic fission products and defective graphite
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期刊论文 |
Wang, Chengbin|Zhang, Xun|Cheng, Cheng|Huai, Ping| |
| 12 |
Piezoelectric, Mechanical and Acoustic Properties of KNaNbOF5 from First-Principles Calculations
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期刊论文 |
Dai, Jian-Xing|Wang, Hui|Yin, Gen|Huai, Ping| |
| 13 |
Bonding nature of the actinide tetrafluorides AnF(4) (An = Th-Cm)
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期刊论文 |
Wang, Chang-Ying|Cheng, Cheng|Su, Jing|Huai, Ping| |
| 14 |
Defect stability in thorium monocarbide: An ab initio study
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期刊论文 |
Han, Han|Kuan, Shao|Cheng, Cheng|Ping, Huai| |
| 15 |
The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation
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期刊论文 |
Xu, Jian|Huai, Ping|Deng, Huiqiu|Hu, Wangyu| |
| 16 |
Extended X-ray Absorption Fine Structure and Density Functional Theory Studies on the Complexation Mechanism of Amidoximate Ligand to Uranyl Carbonate
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期刊论文 |
Li, Jiong|Li, Jingye|Wu, Guozhong|Wang, Jian-Qiang| |
| 17 |
Extraction of local coordination structure in a low-concentration uranyl system by XANES
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期刊论文 |
Jia, Yunpeng|Li, Jiong|Wang, Yu|Wang, Jian-Qiang| |
| 18 |
A first-principles study on the defective properties of MAX phase Cr2AlC: the magnetic ordering and strong correlation effect
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期刊论文 |
Li, Tongwei|Wang, Hui|Zhang, Wei|Huai, Ping| |
| 19 |
Bonding nature of the actinide tetrafluorides AnF(4) (An = Th-Cm)
|
期刊论文 |
Wang, Chang-Ying|Cheng, Cheng|Su, Jing|Huai, Ping| |
