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High-Pressure Phase Transitions of Cubic Y2O3 under High Pressures by In-situ Synchrotron X-Ray Diffraction 期刊论文
CHINESE PHYSICS LETTERS, 2019, 卷号: 36, 期号: 4, 页码: —
Authors:  Jiang, S;  Liu, J;  Li, XD;  Li, YC;  He, SM;  Zhang, JC
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RARE-EARTH SESQUIOXIDES  AB-INITIO  TRANSFORMATION  CRYSTAL  DFT  
A dipole-dipole interaction tuning the photoluminescence of silicon quantum dots in a water vapor environment 期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 4, 页码: 1790—1797
Authors:  Yang, JR;  Gao, Y
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PULSED-LASER-ABLATION  AB-INITIO CALCULATION  DUAL FLUORESCENCE  OPTICAL-EMISSION  NANOCRYSTALS  NANOPARTICLES  LUMINESCENCE  SI  ABSORPTION  ADSORPTION  
Concentration-dependent structure of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions from the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1185, 期号: -, 页码: 469—477
Authors:  Wang, JH;  Lin, H;  Li, F;  Li, SY;  An, SS;  Yuan, JS
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AB-INITIO  WATER-STRUCTURE  HYDRATION  AMMONIUM  HYDROGEN  ION  SCATTERING  K+  TEMPERATURE  SOLVATION  
Anomalous compression behaviour in Nd2O3 studied by x-ray diffraction and Raman spectroscopy 期刊论文
AIP ADVANCES, 2018, 卷号: 8, 期号: 2, 页码: -
Authors:  Jiang, S;  Liu, J;  Bai, LG;  Li, XD;  Li, YC;  He, SM;  Yan, S;  Liang, DX
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Rare-earth Sesquioxides  High-pressure  Phase-transition  Ab-initio  Vibrational-spectra  Transformation  Deposition  Crystals  Er2o3  Films  
A density functional theory study on the interaction between UO22+ and the carbamoylphosphoramidic acid ligand for uranium extraction from seawater 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2018, 卷号: 29, 期号: 6, 页码: -
Authors:  Guo, XJ;  Li, C;  Hu, JT;  Ma, HJ;  Qian, HL
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Ab-initio Pseudopotentials  Sequestering Uranium  Dft Investigations  Parameter Sets  Uranyl-ion  Energy  Complexes  Actinides  Potentials  Solvation  
Size-dependent phase transition of Er2O3 under high pressure 期刊论文
APPLIED PHYSICS LETTERS, 2018, 卷号: 112, 期号: 14, 页码: -
Authors:  Ren, XT;  Yan, XZ;  Yu, ZH;  Li, WT;  Yang, K;  Wang, XL;  Liu, YZ;  Wang, L
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Rare-earth Sesquioxides  Structural Transformations  Ab-initio  Nanocrystals  Amorphization  Stability  Shape  
First-principles study on structural, mechanical and electronic properties of thorium dichalcogenides under high pressure 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 508, 期号: -, 页码: 147-153
Authors:  Guo, YL;  Chen, JC;  Wang, CY;  Jiao, ZY;  Ke, XZ;  Huai, P
Adobe PDF(1162Kb)  |  Favorite  |  View/Download:2/0  |  Submit date:2019/12/17
TOTAL-ENERGY CALCULATIONS  AUGMENTED-WAVE METHOD  AB-INITIO  BASIS-SET  STABILITY  PHASE  TRANSITION  PARAMETERS  CARBIDE  STATE  
Reactions of Laser-Ablated Aluminum Atoms with Cyanogen: Matrix Infrared Spectra and Electronic Structure Calculations for Aluminum Isocyanides Al(NC)(1,2,3) and Their Novel Dimers 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 24, 页码: 5342-5353
Authors:  Andrews, L;  Cho, HG;  Gong, Y
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DENSITY-FUNCTIONAL THEORY  AB-INITIO  THEORETICAL INVESTIGATIONS  SOLID HYDROGEN  BASIS-SETS  AL  COMPLEXES  FREQUENCIES  MOLECULES  GA  
Oscillator Strengths and Integral Cross Sections of the Valence-shell Excitations of the Oxygen Molecule Studied by Fast Electron and Inelastic X-Ray Scattering 期刊论文
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, 2018, 卷号: 238, 期号: 2, 页码: -
Authors:  Liu, YW;  Xu, LQ;  Xiong, T;  Chen, X;  Yang, K;  Hiraoka, N;  Tsuei, KD;  Zhu, LF
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SCHUMANN-RUNGE CONTINUUM  HIGH-RESOLUTION  RYDBERG STATES  ABSORPTION-COEFFICIENTS  IMPACT EXCITATION  POTENTIAL CURVES  AB-INITIO  O-2  O2  BANDS  
Composition- and temperature-dependent liquid structures in Al-Cu alloys: an ab initio molecular dynamics and x-ray diffraction study 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2017, 卷号: 29, 期号: 3, 页码: -
Authors:  Xiong, LH;  Wang, XD;  Cao, QP;  Zhang, DX;  Xie, HL;  Xiao, TQ;  Jiang, JZ
Adobe PDF(7422Kb)  |  Favorite  |  View/Download:71/6  |  Submit date:2017/12/08
Non-arrhenius Diffusivity  Al-cu Binary Alloys  Structural Evolution  Ab Initio Molecular Dynamics Simulation  X-ray Diffraction