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Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study 期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 9, 页码: 5695—5702
Authors:  Chen, XT;  Li, QN;  Gong, Y
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MOLECULAR-ORBITAL METHODS  URANYL-NITRATE  DIGLYCOLAMIDE COMPLEXES  SOLVENT-EXTRACTION  CHEMISTRY  URANIUM  LIGANDS  ION  AM  LANTHANUM(III)  
Influence of heavy metal sorption pathway on the structure of biogenic birnessite: Insight from the band structure and photostability 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2019, 卷号: 256, 期号: -, 页码: 116—134
Authors:  Li, Y;  Liu, FF;  Xu, XM;  Liu, YW;  Li, YZ;  Ding, HR;  Chen, N;  Yin, H;  Lin, H;  Wang, CQ;  Lu, AH
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ZN ISOTOPIC FRACTIONATION  SYNTHETIC NA-BIRNESSITE  MANGANESE OXIDES  HEXAGONAL-BIRNESSITE  REDUCTIVE TRANSFORMATION  MOLECULAR CONTROLS  SORBED BIRNESSITE  RICH BIRNESSITE  WATER OXIDATION  ELECTRONIC-STRUCTURES  
Iron Clusters Embedded in Graphene Nanocavities: Heat-Induced Structural Evolution and Catalytic C-C Bond Breaking 期刊论文
ACS APPLIED NANO MATERIALS, 2019, 卷号: 2, 期号: 1, 页码: 535—545
Authors:  Chen, S;  Bie, J;  Fa, W;  Zha, YC;  Gao, Y;  Zeng, XC
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METAL  TRANSITION  GROWTH  NANORIBBONS  MEMBRANES  
Atomically Dispersed Ruthenium Species Inside Metal-Organic Frameworks: Combining the High Activity of Atomic Sites and the Molecular Sieving Effect of MOFs 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2019, 卷号: 58, 期号: 13, 页码: 4271—4275
Authors:  Ji, SF;  Chen, YJ;  Zhao, S;  Chen, WX;  Shi, LJ;  Wang, Y;  Dong, JC;  Li, Z;  Li, FW;  Chen, C;  Peng, Q;  Li, J;  Wang, DS;  Li, YD
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NANOPARTICLES  SELECTIVITY  NANOCRYSTALS  CATALYST  
Bottom-Up Construction of Active Sites in a Cu-N-4-C Catalyst for Highly Efficient Oxygen Reduction Reaction 期刊论文
ACS NANO, 2019, 卷号: 13, 期号: 3, 页码: 3177—3187
Authors:  Li, W;  Min, CG;  Tan, F;  Li, ZP;  Zhang, BS;  Si, R;  Xu, ML;  Liu, WP;  Zhou, LX;  Wei, QM;  Zhang, YZ;  Yang, XK
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PEM FUEL-CELLS  EFFECTIVE CORE POTENTIALS  X-RAY-DIFFRACTION  O-2 REDUCTION  MOLECULAR CALCULATIONS  CARBON MATERIALS  GRAPHENE OXIDE  CU COMPLEXES  COPPER  ELECTROCATALYSTS  
Bidentate Sulfur Dioxide Complexes of Scandium, Yttrium, and Lanthanum Difluorides 期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 8, 页码: 5281—5288
Authors:  Wei, R;  Chen, XT;  Gong, Y
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GAUSSIAN-BASIS SETS  INFRARED-SPECTRA  THEORETICAL INVESTIGATIONS  MOLECULAR CALCULATIONS  REVERSIBLE BINDING  OXYGEN DIFLUORIDE  ATOMS  SO2  SINGLE  PLANAR  
Side-On Sulfur Monoxide Complexes of Tantalum, Niobium, and Vanadium Oxyfluorides 期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 6, 页码: 3807—3814
Authors:  Wei, R;  Chen, XT;  Gong, Y
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GAUSSIAN-BASIS SETS  INFRARED-SPECTRA  THEORETICAL INVESTIGATIONS  MOLECULAR CALCULATIONS  ATOM REACTIONS  TRIPLE BONDS  METAL ATOM  COORDINATION  ACTIVATION  TITANIUM  
Substrate Metabolism-Driven Assembly of High-Quality CdSxSe1-x Quantum Dots in Escherichia coli: Molecular Mechanisms and Bioimaging Application 期刊论文
ACS NANO, 2019, 卷号: 13, 期号: 5, 页码: 5841—5851
Authors:  Tian, LJ;  Min, Y;  Li, WW;  Chen, JJ;  Zhou, NQ;  Zhu, TT;  Li, DB;  Ma, JY;  An, PF;  Zheng, LR;  Huang, H;  Liu, YZ;  Yu, HQ
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DYNAMICS SIMULATIONS  OXIDATIVE STRESS  NANOPARTICLES  GLUTATHIONE  BACTERIA  BIOSYNTHESIS  GLUTAREDOXINS  INTEGRATION  CADMIUM  SYSTEM  
Oxygen-Vacancy Dynamics and Entanglement with Polaron Hopping at the Reduced CeO2(111) Surface 期刊论文
PHYSICAL REVIEW LETTERS, 2019, 卷号: 122, 期号: 9, 页码: —
Authors:  Zhang, DW;  Han, ZK;  Murgida, GE;  Ganduglia-Pirovano, MV;  Gao, Y
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TOTAL-ENERGY CALCULATIONS  MICROSCOPIC OBSERVATIONS  ELECTRON LOCALIZATION  CERIA  TRANSPORT  OXIDE  NANOPARTICLES  CATALYSIS  OXIDATION  BEHAVIOR  
Theoretical evaluation of microscopic structural and macroscopic thermo-physical properties of molten AF-ThF4 systems (A = Li+, Na+ and K+) 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 277, 期号: -, 页码: 409—417
Authors:  Guo, XJ;  Qian, HL;  Dai, JX;  Liu, WH;  Hu, JT;  Shen, RF;  Wang, JQ
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MOLECULAR-DYNAMICS SIMULATION  CHARGE DECOMPOSITION ANALYSIS  SALT REACTOR  1ST-PRINCIPLES DESCRIPTION  LIQUID BEF2  BASIS-SETS  MIXTURES  THORIUM  SCHEME