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Anion Photoelectron Spectroscopy and Theoretical Study of HAuCN and [HAuCN](-): Spin-Orbit Coupling and Low-Lying Excited States 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 23, 页码: 4712-4719
Authors:  Xiong, XG;  Liu, HT
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CORRELATED MOLECULAR CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  GAUSSIAN-BASIS SETS  GOLD CHEMISTRY  VALENCE INDEXES  ELECTRONIC-STRUCTURE  STATISTICAL AVERAGE  PERTURBATION-THEORY  BOND ORDER  
界面水诱导的分子筛和仿生物膜表面结构的理论研究 学位论文
: 中国科学院大学(中国科学院上海应用物理研究所), 2018
Authors:  刘星
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界面水  沸石  冰晶生长  仿生自组装膜  分子动力学模拟  
Systematic design and three-dimensional simulation of X-ray FEL oscillator for Shanghai Coherent Light Facility 期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 2018, 卷号: 895, 页码: 40-47
Authors:  Li, K;  Deng, HX
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Free-electron-laser  High-gain Regime  1st Operation  Optics  Power  Beam  
High brightness fully coherent x-ray amplifier seeded by a free-electron laser oscillator 期刊论文
PHYSICAL REVIEW ACCELERATORS AND BEAMS, 2018, 卷号: 21, 期号: 4, 页码: -
Authors:  Li, K;  Yan, JW;  Feng, C;  Zhang, M;  Deng, HX
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Generation  Radiation  Regime  
Defects controlled hole doping and multivalley transport in SnSe single crystals 期刊论文
NATURE COMMUNICATIONS, 2018, 卷号: 9, 页码: -
Authors:  Wang, Z;  Fan, CC;  Shen, ZX;  Hua, CQ;  Hu, QF;  Sheng, F;  Lu, YH;  Fang, HY;  Qiu, ZZ;  Lu, J;  Liu, ZT;  Liu, WL;  Huang, YB;  Xu, ZA;  Shen, DW;  Zheng, Y
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Black Phosphorus  Thermoelectric Performance  
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  
质谱在锕系配位化学研究中的应用 期刊论文
核化学与放射化学, 2017, 期号: 1, 页码: "1-12"
Authors:  陈秀婷;  李晴暖;  龚昱
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锕系元素  配位化合物  质谱  气相  
基于横向梯度波荡器的束流物理和自由电子激光物理的相关研究 学位论文
: 中国科学院大学(中国科学院上海应用物理研究所), 2017
Authors:  刘涛
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自由电子激光  激光等离子体加速电子  束流动力学  色品  横向梯度波荡器  微束团不稳定性  Fodo结构  相干同步辐射  上海光机所激光等离子体加速电子装置  上海软x射线自由电子激光装置  
Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 7, 页码: 3236-3249
Authors:  Xiong, XG;  Yanai, T
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Electronic-structure Calculations  Quantum-chemistry  Basis-sets  Paw Code  Pseudopotentials  Performance  Potentials  Formalism  Solids  Scheme  
Au6S2 monolayer sheets: metallic and semiconducting polymorphs 期刊论文
MATERIALS HORIZONS, 2017, 卷号: 4, 期号: 6, 页码: 1085-1091
Authors:  Wu, QS;  Xu, WW;  Qu, BY;  Ma, L;  Niu, XH;  Wang, JL;  Zeng, XC
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Theoretical Prediction  Global Minimum  Gold  Clusters  Decanuclear  Transformation  Aurophilicity  Nanoparticles  Nanoclusters  Transistors