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Structure of aqueous sodium acetate solutions by X-Ray scattering and density functional theory 期刊论文
PURE AND APPLIED CHEMISTRY, 2020, 卷号: 92, 期号: 10, 页码: 1627-1641
Authors:  Wang, GG;  Zhou, YQ;  Lin, H;  Jing, ZF;  Liu, HY;  Zhu, FY
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RADIAL-DISTRIBUTION FUNCTIONS  ALKALI-METAL IONS  MOLECULAR-DYNAMICS  BASIS-SETS  HYDRATION  DIFFRACTION  WATER  CARBOXYLATE  STABILITY  ANION  
Water-Mediated Spontaneously Dynamic Oxygen Migration on Graphene Oxide with Structural Adaptivity for Biomolecule Adsorption* 期刊论文
CHINESE PHYSICS LETTERS, 2020, 卷号: 37, 期号: 6, 页码: -
Authors:  Tu, YS;  Zhao, L;  Sun, JJ;  Wu, YY;  Zhou, XJ;  Chen, L;  Lei, XL;  Fang, HP;  Shi, GS
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COVALENT CHEMISTRY  DEVICES  SERIES  BOND  
Raman Spectroscopic and Theoretical Study of Scandium Fluoride and Oxyfluoride Anions in Molten FLiNaK 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 卷号: 124, 期号: 30, 页码: 6671-6678
Authors:  Wang, CY;  Chen, XT;  Wei, R;  Gong, Y
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DENSITY-FUNCTIONAL THEORY  HIGH-TEMPERATURE NMR  BIS(TRIFLUOROMETHANESULFONYL) IMIDE ANION  IONIC LIQUID  VIBRATIONAL-SPECTRA  RARE-EARTH  MOLECULAR-DYNAMICS  LOCAL-STRUCTURE  BINARY MELTS  BASIS-SET  
Probing NaCl hydrate formation from aqueous solutions by terahertz time-domain spectroscopy 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 32, 页码: 17791-17797
Authors:  Chen, LG;  Ren, GH;  Liu, LY;  Guo, P;  Wang, ED;  Zhu, ZJ;  Yang, JR;  Shen, JX;  Zhang, ZC;  Zhou, L;  Zhang, JB;  Yang, B;  Zhang, WL;  Gao, Y;  Zhao, HW;  Han, JG
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X-RAY  MOLECULAR-DYNAMICS  WATER-STRUCTURE  THZ SPECTRA  ICE  IONS  HYSTERESIS  PRINCIPLES  SCATTERING  PHASE  
Probing the Fast Lithium-Ion Transport in Small-Molecule Solid Polymer Electrolytes by Solid-State NMR 期刊论文
MACROMOLECULES, 2020, 卷号: 53, 期号: 22, 页码: 10078-10085
Authors:  Fu, XB;  Liu, YY;  Wang, W;  Han, L;  Yang, J;  Ge, M;  Yao, YF;  Liu, HT
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Migration behavior of tellurium in bcc iron against typical alloying elements: A first-principles study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 181, 页码: -
Authors:  Zhang, ZD;  Ren, CL;  Tan, ML;  Yang, YQ;  Yin, YR;  Wang, CY;  Han, H;  Huai, P
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INITIO MOLECULAR-DYNAMICS  SOLVENT SELF-DIFFUSION  AB-INITIO  ALPHA-IRON  FE  VACANCIES  NICKEL  ENERGY  DIFFUSIVITIES  TRANSITION  
Molecular rotation-caused autocorrelation behaviors of thermal noise in water 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2020, 卷号: 31, 期号: 6, 页码: -
Authors:  Guo, YW;  Qin, JY;  Hu, JH;  Cao, JH;  Zhu, Z;  Wang, CL
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TRANSITION  DYNAMICS  EVAPORATION  SIMULATION  TRANSPORT  HYDROGEN  PHASE  
Length feature of ssDNA adsorption onto graphene oxide with both large unoxidized and oxidized regions 期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 12, 页码: 6699-6707
Authors:  Lei, XL;  Ma, HS;  Fang, HP
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SINGLE-STRANDED-DNA  MOLECULAR-DYNAMICS  CARBON NANOTUBE  ATOMIC-STRUCTURE  MEMBRANES  BINDING  SURFACE  FUNCTIONALIZATION  NANOCOMPOSITES  SIMULATIONS  
Light nuclei production in Au plus Au collisions at root s(NN)=7.7-80 GeV from UrQMD model 期刊论文
PHYSICS LETTERS B, 2020, 卷号: 808, 页码: -
Authors:  Deng, XG;  Ma, YG
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QUANTUM MOLECULAR-DYNAMICS  QCD  HADRONS  STATE  
Single-Molecular Catalysis Identifying Activation Energy of the Intermediate Product and Rate-Limiting Step in Plasmonic Photocatalysis 期刊论文
NANO LETTERS, 2020, 卷号: 20, 期号: 4, 页码: 2507-2513
Authors:  Li, W;  Miao, JJ;  Peng, TH;  Lv, H;  Wang, JG;  Li, K;  Zhu, Y;  Li, D
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CROSS-COUPLING REACTIONS  HOT-ELECTRONS  SOLAR-ENERGY  REVEALS  KINETICS  CARRIER  NANOSTRUCTURES  CONVERSION  PALLADIUM  DYNAMICS