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二氧化铈表面物理化学性质的第一性原理研究 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:  韩仲康
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二氧化铈表面氧缺陷  4f电子  扩散过程  金原子催化  第一性原理分子动力学  
Asymmetry induces Q-band split in the electronic excitations of magnesium porphyrin 期刊论文
MOLECULAR PHYSICS, 2018, 卷号: 116, 期号: 13, 页码: 1697-1705
Authors:  Jiang, XK;  Gao, Y;  Lal, R;  Hu, J;  Song, B
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Quantum Coherence  Zinc Porphyrins  Free-base  Physiological Temperature  Absorption-spectra  Excited-states  Mg-porphin  Complexes  Systems  Photosynthesis  
Bifunctional Nitrogen and Cobalt Codoped Hollow Carbon for Electrochemical Syngas Production 期刊论文
ADVANCED SCIENCE, 2018, 卷号: 5, 期号: 7, 页码: -
Authors:  Song, XK;  Zhang, H;  Yang, YQ;  Zhang, B;  Zuo, M;  Cao, X;  Sun, JH;  Lin, C;  Li, XP;  Jiang, Z
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METAL-ORGANIC FRAMEWORKS  OXYGEN REDUCTION REACTION  BRILLOUIN-ZONE INTEGRATIONS  INITIO MOLECULAR-DYNAMICS  EFFICIENT ELECTROREDUCTION  CO2 REDUCTION  ACTIVE-SITES  CATALYSTS  GRAPHENE  ELECTROCATALYSTS  
Carbon dioxide electroreduction over imidazolate ligands coordinated with Zn(II) center in ZIFs 期刊论文
NANO ENERGY, 2018, 卷号: 52, 期号: -, 页码: 345-350
Authors:  Jiang, XL;  Li, HB;  Xiao, JP;  Gao, DF;  Si, R;  Yang, F;  Li, YS;  Wang, GX;  Bao, XH
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METAL-ORGANIC FRAMEWORKS  SELECTIVE ELECTROCATALYTIC REDUCTION  MOLECULAR-SIEVING MEMBRANES  ELECTROCHEMICAL REDUCTION  CO2 REDUCTION  AU NANOPARTICLES  EFFICIENT  OXIDE  NANOSHEETS  CATALYSTS  
Infrared Spectra of the SO2F2- Anion in Solid Argon and Neon 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 38, 页码: 7723-7729
Authors:  Wei, R;  Chen, XT;  Gong, Y
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DENSITY-FUNCTIONAL THEORY  ION-MOLECULE REACTIONS  MATRIX-ISOLATION  THEORETICAL INVESTIGATIONS  VIBRATIONAL FREQUENCIES  POLYFLUORIDE ANIONS  SULFUR-FLUORIDE  RARE-GASES  COMPLEXES  THERMOCHEMISTRY  
磷酸盐玻璃固化放射性含氟废物的分子动力学模拟研究 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:  高崚威
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分子动力学模拟  氟化物  放射性废物  磷酸盐玻璃固化  熔盐堆  
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
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2-ELECTRON VALENCE INDEXES  ELECTRONIC-STRUCTURE  INFRARED-SPECTRA  ROTATIONAL ANALYSIS  ACTINIDE COMPLEXES  URANIUM-OXIDES  BAND SYSTEMS  BASIS-SETS  MATRIX  UO2  
Decontamination performance of magnetic graphene oxide towards nickel ions and its underlying mechanism investigation by XAFS 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 258, 页码: 48-56
Authors:  Jin, CA;  Feng, GF;  Linghu, WS;  Zhang, LY;  Shen, RP;  Hu, J;  Huang, YY;  Zhu, YL;  Asiri, AM;  Marwani, HM;  Wu, XL;  Sheng, J
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Layered Double Hydroxide  Nanoscale Zerovalent Iron  Absorption Fine-structure  Highly Efficient Capture  Modeling Techniques  Titanate Nanotubes  Aqueous-solutions  Fulvic-acid  Carbonaceous Nanofibers  Enhanced Sequestration  
Design of wide-range energy material beamline at the Shanghai Synchrotron Radiation Facility 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2018, 卷号: 29, 期号: 2, 页码: -
Authors:  Chen, ZH;  Sun, FF;  Zou, Y;  Song, F;  Zhang, S;  Jiang, Z;  Wang, Y;  Tai, RZ
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High-pressure  Performance  Catalysts  Monochromators  
Potentials of classical force fields for interactions between Na+ and carbon nanotubes 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 9, 页码: -
Authors:  Li, DY;  Shi, GS;  Hong, F;  Fang, HP
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ANION-P INTERACTIONS  MOLECULAR-DYNAMICS  WATER TRANSPORT  MEMBRANES  CHANNEL  MECHANISM  FLOW  DESALINATION  SIMULATIONS  TECHNOLOGY