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科研机构
北京大学 [428]
内容类型
期刊论文 [403]
其他 [22]
会议论文 [3]
发表日期
2017 [21]
2016 [29]
2015 [35]
2014 [37]
2013 [42]
2012 [32]
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专题:北京大学
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Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study
期刊论文
PHYSICS AND CHEMISTRY OF MINERALS, 2017
Zhang, Yanyao
;
Liu, Xi
;
Shieh, Sean R.
;
Bao, Xinjian
;
Xie, Tianqi
;
Wang, Fei
;
Zhang, Zhigang
;
Prescher, Clemens
;
Prakapenka, Vitali B.
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2017/12/03
Compressibility
DFT calculations
Diamond-anvil cell
High-P phase transition
Synchrotron X-ray diffraction
Zn2TiO4-CT
Zn2TiO4-Sp
EQUATION-OF-STATE
HIGH-PRESSURE PHASE
SYNTHETIC QANDILITE MG2TIO4
RAY-DIFFRACTION DATA
AMBIENT-TEMPERATURE
VOLUME MEASUREMENTS
MGSIO3 PEROVSKITE
SYSTEM ZNO-TIO2
MAGNESIUM-OXIDE
TRANSITION ZONE
The fcc structure isomerization in gold nanoclusters
期刊论文
NANOSCALE, 2017
Zhuang, Shengli
;
Liao, Lingwen
;
Li, Man-Bo
;
Yao, Chuanhao
;
Zhao, Yan
;
Dong, Hongwei
;
Li, Jin
;
Deng, Haiteng
;
Li, Lingling
;
Wu, Zhikun
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
X-RAY CRYSTALLOGRAPHY
PROTECTED AU-25 CLUSTER
OPTICAL-PROPERTIES
THEORETICAL-ANALYSIS
METAL NANOCLUSTERS
CRYSTAL-STRUCTURE
NANOPARTICLE
NANOCRYSTALS
MONOLAYER
COMPLEXES
Tellurium-Impregnated Porous Cobalt-Doped Carbon Polyhedra as Superior Cathodes for Lithium-Tellurium Batteries
期刊论文
ACS NANO, 2017
He, Jiarui
;
Lv, Weiqiang
;
Chen, Yuanfu
;
Wen, Kechun
;
Xu, Chen
;
Zhang, Wanli
;
Li, Yanrong
;
Qin, Wu
;
He, Weidong
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
tellurium
metal-organic frameworks
cathode
in-operando Raman spectroscopy
lithium-tellurium battery
LI-TE BATTERIES
SULFUR BATTERIES
ION BATTERIES
PERFORMANCE
GRAPHENE
NANOSHEETS
NANOWIRES
ANODE
Custom Coordination Environments for Lanthanoids: Tripodal Ligands Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based Molecular Nanomagnets
期刊论文
INORGANIC CHEMISTRY, 2017
Lim, Kwang Soo
;
Baldovi, Jose J.
;
Jiang, ShangDa
;
Koo, Bong Ho
;
Kang, Dong Won
;
Lee, Woo Ram
;
Koh, Eui Kwan
;
Gaita-Arino, Alejandro
;
Coronado, Eugenio
;
Slota, Michael
;
Bogani, Lapo
;
Hong, Chang Seop
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
SINGLE-ION MAGNETS
SPIN QUBITS
MAGNETIZATION RELAXATION
QUANTUM COHERENCE
COMPLEXES
ANISOTROPY
BEHAVIOR
SYMMETRY
DY(III)
BARRIER
Aromatic Tetralithiodigalloles with a Ga-Ga Bond: Synthesis and Structural Characterization
期刊论文
ORGANOMETALLICS, 2017
Zhang, Yongliang
;
Chi, Yue
;
Wei, Junnian
;
Yang, Qi
;
Yang, Zhenqiang
;
Chen, Hui
;
Yang, Ruina
;
Zhang, Wen-Xiong
;
Xi, Zhenfeng
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
IN-IN BONDS
MOLECULAR-STRUCTURE
GALLIUM-GALLIUM
AL-AL
ORGANOELEMENT COMPOUNDS
STANNOLE DIANION
TRANSITION-METAL
CHEMISTRY
METALLABENZENES
COMPLEXES
Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2017
Kan, Zigui
;
Zhu, Qang
;
Yang, Lijiang
;
Huang, Zhixiong
;
Jin, Biaobing
;
Ma, Jing
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
1,3-DIMETHYLIMIDAZOLIUM CHLORIDE
GLUCOSE SOLVATION
FORCE-FIELDS
SOLVENTS
WATER
NMR
DEFINITION
POLAR
Carbanion Translocations via Intramolecular Proton Transfers: A Quantum Chemical Study
期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2017
Wang, Yi
;
Cai, Pei-Jun
;
Yu, Zhi-Xiang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
GAUSSIAN-BASIS SETS
TRANSITION-STATE METHOD
CORRELATED MOLECULAR CALCULATIONS
CATALYZED 3+2 CYCLOADDITION
COUPLED ELECTRON-TRANSFER
ALPHA-AMINO NITRILES
NATURAL ORBITALS
GAS-PHASE
THEORETICAL-ANALYSIS
TAXADIENE SYNTHASE
Theoretical Investigation of Ta2O5, TaON, and Ta3N5: Electronic Band Structures and Absolute Band Edges
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
Cui, Zhi-Hao
;
Jiang, Hong
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
VISIBLE-LIGHT IRRADIATION
DENSITY-FUNCTIONAL THEORY
BODY PERTURBATION-THEORY
TANTALUM OXYNITRIDE
(OXY)NITRIDE PHOTOCATALYSTS
DERIVATIVE DISCONTINUITIES
NEUTRON-DIFFRACTION
ENERGY CALCULATIONS
OPTICAL-PROPERTIES
CRYSTAL-STRUCTURE
Emergence of Solvent-Separated Na+-Cl- Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017
Hou, Gao-Lei
;
Liu, Cheng-Wen
;
Li, Ren-Zhong
;
Xu, Hong-Guang
;
Gao, Yi Qin
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
AB-INITIO CALCULATIONS
MONTE-CARLO-SIMULATION
SODIUM-CHLORIDE
ALKALI-HALIDES
DISSOLVING MECHANISM
MOLECULAR-DYNAMICS
CHARGE SEPARATION
AQUEOUS-SOLUTIONS
INFRARED-SPECTRA
BASIS-SETS
Fast selective homogeneous extraction of UO22+ with carboxyl-functionalised task-specific ionic liquids
期刊论文
SCIENTIFIC REPORTS, 2017
Ao, Yinyong
;
Chen, Jian
;
Xu, Min
;
Peng, Jing
;
Huang, Wei
;
Li, Jiuqiang
;
Zhai, Maolin
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
ENERGY-ADJUSTED PSEUDOPOTENTIALS
SOLUBILIZING METAL-OXIDES
RARE-EARTH-ELEMENTS
SOLVENT-EXTRACTION
NITRIC-ACID
BETAINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
RADIOLYTIC PRODUCTS
URANYL COMPLEXES
PHASE-BEHAVIOR
BASIS-SETS
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