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北京大学 [4]
上海应用物理研究所 [4]
大连化学物理研究所 [3]
高能物理研究所 [2]
中国科学院大学 [1]
安徽大学 [1]
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期刊论文 [16]
发表日期
2016 [16]
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Solvent extraction of americium(III) and europium(III) with tridentate N,N-dialkyl-1,10-phenanthroline-2-amide-derived ligands: extraction, complexation and theoretical study
期刊论文
NEW JOURNAL OF CHEMISTRY, 2016, 卷号: 40, 页码: 10560-10568
作者:
Tan, Cunmin
;
Cao, Shiwei
;
Wang, Jieru
;
Zhang, Xin
;
Li, Sa
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浏览/下载:29/0
  |  
提交时间:2018/05/31
Deep-ultraviolet transparent cs2lipo4 exhibits an unprecedented second harmonic generation
期刊论文
Chemistry of materials, 2016, 卷号: 28, 期号: 19, 页码: 7110-7116
作者:
Shen, Yaoguo
;
Yang, Yi
;
Zhao, Sangen
;
Zhao, Bingqing
;
Lin, Zheshuai
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  |  
浏览/下载:24/0
  |  
提交时间:2019/05/09
Tailoring the Electronic and Catalytic Properties of Au-25 Nanoclusters via Ligand Engineering
期刊论文
ACS NANO, 2016, 卷号: 10, 期号: 8, 页码: 7998-8005
作者:
Li, Gao
;
Abroshan, Hadi
;
Liu, Chong
;
Zhuo, Shuo
;
Li, Zhimin
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  |  
浏览/下载:16/0
  |  
提交时间:2019/06/20
Gold
Nanoclusters
Au-25
Ligand Effects
Ullmann Coupling
Molecular mechanism for the activation of Au-25(SCH2CH2Ph)(18) nanoclusters by imidazolium-based ionic liquids for catalysis
期刊论文
JOURNAL OF CATALYSIS, 2016, 卷号: 337, 页码: 72-79
作者:
Kim, Hyung J.
;
Abroshan, Hadi
;
Li, Gao
;
Lin, Jizhi
;
Jin, Rongchao
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  |  
浏览/下载:19/0
  |  
提交时间:2019/06/20
Gold Nanoclusters
Au-25
Suzuki Cross Coupling
Ionic Liquids
Dft Calculation
Md Simulation
Alkyl Effects on the Chain Initiation Efficiency of Olefin Polymerization by Cationic Half-Sandwich Scandium Catalysts: A DFT Study
期刊论文
ORGANOMETALLICS, 2016, 卷号: 35, 期号: 6, 页码: 913-920
作者:
Kang, Xiaohui
;
Zhou, Guangli
;
Wang, Xingbao
;
Qu, Jingping
;
Hou, Zhaomin
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  |  
浏览/下载:22/0
  |  
提交时间:2019/06/20
Computational Exploration of Rh-III/Rh-V and Rh-III/Rh-I Catalysis in Rhodium(III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016
Yang, Yun-Fang
;
Houk, K. N.
;
Wu, Yun-Dong
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浏览/下载:5/0
  |  
提交时间:2017/12/03
CONCERTED METALATION-DEPROTONATION
AB-INITIO PSEUDOPOTENTIALS
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
INTERNAL OXIDANT
BOND ACTIVATION
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
REDUCTIVE ELIMINATION
NITROGEN-SOURCE
Fundamental View of Electronic Structures off beta-NaYF4, beta-NaGdF4, and beta-NaLuF4
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016
Huang, Bolong
;
Dong, Hao
;
Wong, Ka-Leung
;
Sun, Ling-Dong
;
Yan, Chun-Hua
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浏览/下载:2/0
  |  
提交时间:2017/12/04
DENSITY-FUNCTIONAL THEORY
PHOTON UP-CONVERSION
NATIVE POINT-DEFECTS
OPTICAL-PROPERTIES
PLUS U
ULTRASOFT PSEUDOPOTENTIALS
MOLECULAR-DYNAMICS
INTRINSIC DEFECTS
ENERGY MIGRATION
LANTHANIDE IONS
Link between K absorption edges and thermodynamic properties of warm dense plasmas established by an improved first-principles method
期刊论文
PHYSICAL REVIEW B, 2016
Zhang, Shen
;
Zhao, Shijun
;
Kang, Wei
;
Zhang, Ping
;
He, Xian-Tu
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  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
FREE-ELECTRON-LASER
PSEUDOPOTENTIALS
SHIFTS
Phase Transition in Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under Static Compression: An Application of the First-Principles Method Specialized for CHNO Solid Explosives
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016
Zhang, Lei
;
Jiang, Sheng-Li
;
Yu, Yi
;
Long, Yao
;
Zhao, Han-Yue
;
Peng, Li-Juan
;
Chen, Jun
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  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
EQUATION-OF-STATE
PENTAERYTHRITOL TETRANITRATE PETN
MOLECULAR-DYNAMICS SIMULATION
MINIMUM ENERGY PATHS
ELASTIC BAND METHOD
BETA-HMX
CRYSTAL-STRUCTURE
HIGH-PRESSURE
CYCLOTETRAMETHYLENE TETRANITRAMINE
TEMPERATURE-DEPENDENCE
First-principle investigation of the structure and vibrational spectra of the local structures in LiF-BeF2 Molten Salts
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 213, 期号: -, 页码: 17—22
作者:
Dai, JX
;
Han, H
;
Li, QN
;
Huai, P
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  |  
浏览/下载:27/0
  |  
提交时间:2016/09/12
INITIO MOLECULAR-DYNAMICS
SPACE GAUSSIAN PSEUDOPOTENTIALS
INFRARED-SPECTRUM
LIQUID WATER
PROTONATED PEPTIDES
RAMAN-SPECTRA
SPECTROSCOPY
SIMULATIONS
DENSITY
MIXTURES
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