中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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高能物理研究所 [5]
物理研究所 [3]
宁波材料技术与工程研... [3]
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期刊论文 [18]
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2023 [1]
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Chemistry [4]
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Stability and Elasticity of Quasi Hexagonal Fullerene Monolayer from First Principles Study
期刊论文
OAI收割
CRYSTALS, 2023, 卷号: 13, 期号: 2, 页码: 224
作者:
Shen, Guichang
;
Li, Linxian
;
Tang, Shuai
;
Jin, Jianfeng
;
Chen, XiaoJia
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/04/20
qhp C 60
stability
first principles
mechanical properties
Chemically Assisted Precompression of Hydrogen Molecules in Alkaline-Earth Tetrahydrides
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2022, 卷号: 13
作者:
Pena-Alvarez, Miriam
;
Binns, Jack
;
Marques, Miriam
;
Kuzovnikov, Mikhail A.
;
Dalladay-Simpson, Philip
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2022/12/22
Theoretical Insights into the Reduction Mechanism of Np(VI) with Phenylhydrazine
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 28, 页码: 6180-6188
作者:
Li, Xiao-Bo
;
Wu, Qun-Yan
;
Wang, Cong-Zhi
;
Lan, Jian-Hui
;
Zhang, Meng
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2021/12/01
ELECTRON LOCALIZATION
ACTINIDE
PU
ENERGY
NP
NEPTUNIUM
KINETICS
IONS
THERMOCHEMISTRY
BUTYRALDEHYDE
Theoretical Insights into the Actinide-Silicon Bonding Nature and Stability of a Series of Actinide Complexes with Different Oxidation States
期刊论文
OAI收割
ORGANOMETALLICS, 2021, 卷号: 40, 期号: 11, 页码: 1719-1727
作者:
Li, Ai-Lin
;
Zhang, Nai-Xin
;
Wu, Qun-Yan
;
Wang, Cong-Zhi
;
Lan, Jian-Hui
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/12/01
METAL-METAL BONDS
DENSITY-FUNCTIONAL THEORY
ELECTRON LOCALIZATION
GROUP-14 ELEMENT
COVALENT RADII
CHEMICAL-BONDS
TH-PU
URANIUM
REACTIVITY
NITRIDE
Theoretical Insights into the Effect of Cations, Anions, and Water on Fixation of CO(2)Catalyzed by Different Ionic Liquids
期刊论文
OAI收割
CHEMSUSCHEM, 2020, 页码: 11
作者:
Xia, Yangfeng
;
Zhang, Yanqiang
;
Su, Qian
;
Dong, Kun
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/10/30
CO2-epoxide cycloaddition
Density functional calculations
ELF (Electron Localization Function)
Ionic liquids
Theoretical Study on the Reduction Mechanism of Np(VI) by Hydrazine Derivatives
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 19, 页码: 3720-3729
作者:
Li, Xiao-Bo
;
Wu, Qun-Yan
;
Wang, Cong-Zhi
;
Lan, Jian-Hui
;
Ning, Shun-Yan
  |  
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2020/12/16
ELECTRON LOCALIZATION
TOPOLOGICAL ANALYSIS
M(CO)(6) M=CR
KINETICS
ACTINIDE
ENERGY
NEPTUNIUM
NP
HYDROXYLAMINE
PU(IV)
Atomic bonding and electronic stability of the binary sigma phase
期刊论文
OAI收割
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 811, 页码: 8
作者:
Liu, Wei
;
Lu, Xiao-Gang
;
Hu, Qing-Miao
;
Wang, Hao
;
Liu, Yi
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/02/02
sigma phase
atomic bonding
electronic stability
DOS
ELF
first-principles calculations
Structural stability and electronic properties of the (0001) inversion domain boundary in III-nitrides
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 152-158
作者:
Li, Siqian
;
Lei, Huaping
;
Anglade, Pierre-Matthieu
;
Chen, Jun
;
Ruterana, Pierre
  |  
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2019/12/20
Inversion domain boundary (IDB)
Group III-nitrides
DFT
Chemical bonding
Electronic structure
The redox mechanism of Np-VI with hydrazine: a DFT study
期刊论文
OAI收割
RSC ADVANCES, 2016, 卷号: 6, 期号: 110, 页码: 109045-109053
作者:
Wu QY(吴群燕)
;
Lan JH(蓝建慧)
;
Wang CZ(王聪芝)
;
Cheng ZP(程仲平)
;
Chai ZF(柴之芳)
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2017/07/27
Terminal U E (E = N, P, As, Sb, and Bi) Bonds in Uranium Complexes: A Theoretical Perspective
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 5, 页码: 922-930
作者:
Wu QY(吴群燕)
;
Lan JH(蓝建慧)
;
Wang CZ(王聪芝)
;
Zhao YL(赵宇亮)
;
Chai ZF(柴之芳)
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2016/04/18