CAS OpenIR

Browse/Search Results:  1-10 of 39 Help

Selected(0)Clear Items/Page:    Sort:
Theoretical analyses of chemical bonding in terminal EThF2 (E = O, S, Se, Te) 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2019, 卷号: 30, 期号: 5, 页码: —
Authors:  Li, YL;  Xiong, XG;  Liu, HT
View  |  Adobe PDF(853Kb)  |  Favorite  |  View/Download:26/3  |  Submit date:2019/12/30
SMALL-CORE PSEUDOPOTENTIALS  MATRIX INFRARED-SPECTRA  ELECTRONIC-STRUCTURE  SOLID ARGON  ACTINIDE  THORIUM  SPECTROSCOPY  LANTHANIDE  COVALENCY  ATOMS  
Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810
Authors:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L;  Gong, Y
View  |  Adobe PDF(2531Kb)  |  Favorite  |  View/Download:0/0  |  Submit date:2020/10/16
DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY  
Synthesis of a dinuclear europium(III) complex through deprotonation and oxygen-atom transfer of trimethylamine N-oxide 期刊论文
DALTON TRANSACTIONS, 2019, 卷号: 48, 期号: 46, 页码: 17158-17162
Authors:  Li, YJ;  Chen, XT;  Gong, Y
View  |  Adobe PDF(2824Kb)  |  Favorite  |  View/Download:0/0  |  Submit date:2020/10/16
BASE INDUCED REDUCTIONS  S HYDROGEN-BONDS  C-H ACTIVATION  RARE-EARTH  LANTHANIDE COMPLEXES  COORDINATION POLYMERS  ELECTRONIC-STRUCTURE  STABILIZATION  DEOXYGENATION  REACTIVITY  
Determination of interstitial oxygen atom position in U2N3+xOy by near edge structure study 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 504, 页码: 215-220
Authors:  Jiang, AK;  Zhao, YW;  Long, Z;  Hu, Y;  Wang, XF;  Yang, RL;  Bao, HL;  Zeng, RG;  Liu, KZ
View  |  Adobe PDF(1164Kb)  |  Favorite  |  View/Download:102/18  |  Submit date:2018/09/06
X-ray-absorption  Initial Oxidation Behaviors  Transition-metal Oxides  Uranium-dioxide  K-edge  Electronic-structure  Fine-structure  Spectroscopy  Nitride  Spectra  
Fabrication of NiSe2 by direct selenylation of a nickel surface 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 428, 页码: 623-629
Authors:  Sun, HL;  Liang, ZF;  Shen, KC;  Luo, M;  Hu, JB;  Huang, H;  Zhu, ZY;  Li, ZJ;  Jiang, Z;  Song, F
View  |  Adobe PDF(2319Kb)  |  Favorite  |  View/Download:97/26  |  Submit date:2018/09/06
Transition-metal-dichalcogenide  Sensitized Solar-cells  Solid-state Synthesis  Hydrothermal Synthesis  Electronic-structure  Nanowire Film  Thin-films  Efficient  Electrocatalyst  Growth  
Unraveling the oxygen vacancy structures at the reduced CeO2(111) surface 期刊论文
PHYSICAL REVIEW MATERIALS, 2018, 卷号: 2, 期号: 3, 页码: -
Authors:  Han, ZK;  Yang, YZ;  Zhu, BE;  Ganduglia-Pirovano, MV;  Gao, Y
View  |  Adobe PDF(5553Kb)  |  Favorite  |  View/Download:215/24  |  Submit date:2018/09/06
Scanning-tunneling-microscopy  Gas Shift Reaction  Co Oxidation  Electronic-structure  Defect Structure  Ceria  Catalysts  Water  Nanoparticles  Gold  
Thiolate-Protected Hollow Gold Nanospheres 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 7, 页码: 770-775
Authors:  Xu, WW;  Gao, Y
View  |  Adobe PDF(1147Kb)  |  Favorite  |  View/Download:112/36  |  Submit date:2018/09/06
Effective Core Potentials  X-ray Crystallography  Crystal-structure  Optical-properties  Molecular Calculations  Theoretical-analysis  Electronic-properties  Structural Evolution  Nanoparticles  Nanoclusters  
Structures and physical properties of two magnetic Fe-based metallic glasses 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 747, 页码: 636-639
Authors:  Zhang, JL;  Shan, GC;  Li, J;  Wang, YM;  Shek, CH
View  |  Adobe PDF(894Kb)  |  Favorite  |  View/Download:78/20  |  Submit date:2018/09/06
Absorption Fine-structure  Electronic-structure  Alloys  Roles  
Anion photoelectron spectroscopy and chemical bonding of ThO2- and ThO3- 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 24, 页码: -
Authors:  Li, YL;  Zou, JH;  Xiong, XG;  Xie, H;  Tang, ZC;  Ge, M;  Zhao, YF;  Liu, HT
View  |  Adobe PDF(1743Kb)  |  Favorite  |  View/Download:17/1  |  Submit date:2019/12/17
2-ELECTRON VALENCE INDEXES  ELECTRONIC-STRUCTURE  INFRARED-SPECTRA  ROTATIONAL ANALYSIS  ACTINIDE COMPLEXES  URANIUM-OXIDES  BAND SYSTEMS  BASIS-SETS  MATRIX  UO2  
Atomic-level insight into super-efficient electrocatalytic oxygen evolution on iron and vanadium co-doped nickel (oxy)hydroxide 期刊论文
NATURE COMMUNICATIONS, 2018, 卷号: 9, 期号: -, 页码: -
Authors:  Jiang, J;  Sun, FF;  Zhou, S;  Hu, W;  Zhang, H;  Dong, JC;  Jiang, Z;  Zhao, JJ;  Li, JF;  Yan, WS;  Wang, M
View  |  Adobe PDF(4119Kb)  |  Favorite  |  View/Download:27/3  |  Submit date:2019/12/17
RAY-ABSORPTION SPECTROSCOPY  WATER OXIDATION ELECTROCATALYST  DOUBLE HYDROXIDE NANOSHEETS  ELECTRONIC-STRUCTURE  ELECTROCHEMICAL EVOLUTION  REACTION DYNAMICS  OXIDE CATALYSTS  REDOX STATES  METAL  SURFACES