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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 Hydrogen Bonding in Microsolvated Clusters of Au-1,2(-)(Solv)(n) (Solv = C2H5OH, n-C3H7OH; n=1-3 for Au-; n=1 for Au-2(-)) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5590-5598
Authors:  Wang, YT;  Han, CC;  Fei, ZJ;  Dong, CW;  Liu, HT
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QUADRATIC CONFIGURATION-INTERACTION  GENERALIZED GRADIENT APPROXIMATION  VAPOR-PHASE HYDROCHLORINATION  CATALYTIC-ACTIVITY  CO OXIDATION  PHOTOELECTRON-SPECTROSCOPY  DENSITY FUNCTIONALS  AEROBIC OXIDATION  CARBON-DIOXIDE  BASIS-SETS  
Single-atom Rh/N-doped carbon electrocatalyst for formic acid oxidation 期刊论文
NATURE NANOTECHNOLOGY, 2020, 卷号: 15, 期号: 5, 页码: 390-+
Authors:  Xiong, Y;  Dong, JC;  Huang, ZQ;  Xin, PY;  Chen, WX;  Wang, Y;  Li, Z;  Jin, Z;  Xing, W;  Zhuang, ZB;  Ye, JY;  Wei, X;  Cao, R;  Gu, L;  Sun, SG;  Zhuang, L;  Chen, XQ;  Yang, H;  Chen, C;  Peng, Q;  Chang, CR;  Wang, DS;  Li, YD
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INITIO MOLECULAR-DYNAMICS  OXYGEN REDUCTION  PALLADIUM NANOSHEETS  CATALYSTS  IDENTIFICATION  TRANSITION  GRAPHENE  ELECTROOXIDATION  DECOMPOSITION  CONVERSION  
Selectivity mechanism of magnesium and calcium in cation-binding pocket structures of phosphotyrosine 期刊论文
PHYSICAL REVIEW E, 2020, 卷号: 101, 期号: 2, 页码: -
Authors:  Tu, YS;  Liu, HD;  Shi, GS;  Zhang, FM;  Su, T;  Wu, YY;  Sun, JJ;  Zhang, L;  Zhang, SL;  Fang, HP
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METAL-IONS  CRYSTAL-STRUCTURES  PI INTERACTIONS  DENSITY  ACTIVATION  WATER  
Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2020, 卷号: 142, 期号: 41, 页码: 17787-17794
Authors:  Zhang, ZX;  Zhang, HY;  Zhang, W;  Chen, XG;  Wang, H;  Xiong, RG
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INITIO MOLECULAR-DYNAMICS  TOTAL-ENERGY CALCULATIONS  DIELECTRIC-PROPERTIES  TEMPERATURE  TRANSITION  SALT  
Far-infrared terahertz properties of L-cysteine and its hydrochloride monohydrate 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2020, 卷号: 225, 页码: -
Authors:  Ren, GH;  Zong, SQ;  Zhu, ZJ;  Cheng, C;  Chen, LG;  Zhou, L;  Zhang, JB;  Liu, LY;  Han, JG;  Zhao, HW
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TIME-DOMAIN SPECTROSCOPY  CHLORIDE CHANNEL  AMINO-ACIDS  VIBRATIONS  SPECTRA  
Exotic nuclear shape due to cluster formation at high angular momentum 期刊论文
PHYSICAL REVIEW C, 2020, 卷号: 102, 期号: 3, 页码: -
Authors:  Dey, B;  Wang, SS;  Pandit, D;  Bhattacharya, S;  Cao, XG;  He, WB;  Ma, YG;  Hung, NQ;  Dang, ND
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QUANTUM MOLECULAR-DYNAMICS  GIANT-DIPOLE RESONANCE  FLUCTUATIONS  TEMPERATURE