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科研机构
北京大学 [33]
内容类型
期刊论文 [30]
其他 [3]
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2017 [10]
2016 [7]
2015 [4]
2014 [1]
2013 [1]
2012 [1]
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专题:北京大学
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Electronic origin of the spin-phonon coupling effect in transition-metal perovskites
期刊论文
PHYSICAL REVIEW B, 2017
Wang, Hongwei
;
He, Lixin
;
Jiang, Hong
;
Steele, Cameron
;
Wu, Xifan
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
MULTIFERROICS
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
Switching Effects in Molecular Electronic Devices
期刊论文
TOPICS IN CURRENT CHEMISTRY, 2017
Liu, Zihao
;
Ren, Shizhao
;
Guo, Xuefeng
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
Molecular electronics
Device fabrication
Switching effects
FIELD-EFFECT-TRANSISTOR
NORBORNYLOGOUS BRIDGE MOLECULE
TRANSITION-METAL-COMPLEXES
WALLED CARBON NANOTUBES
CHARGE-TRANSPORT
CONTROLLED CONDUCTANCE
MONOLAYER TRANSISTORS
BREAK JUNCTIONS
SINGLE
PHOTO
Pressure dependence of dynamically screened Coulomb interactions in NiO: Effective Hubbard, Hund, intershell, and intersite components
期刊论文
PHYSICAL REVIEW B, 2017
Panda, S. K.
;
Jiang, H.
;
Biermann, S.
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  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
TRANSITION-METAL MONOXIDES
X-RAY PHOTOEMISSION
ELECTRONIC-STRUCTURE
VALENCE-BAND
MOTT INSULATORS
STATE
NICKEL
SPECTRA
SPECTROSCOPY
ABSORPTION
Magnetic two-dimensional organic topological insulator: Au-1,3,5-triethynylbenzene framework
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Chen, Yu
;
Sun, Qiang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
ON-SURFACE SYNTHESIS
BRILLOUIN-ZONE
HALL
PREDICTION
STATE
Cr0.5Nb24.5O62 Nanowires with High Electronic Conductivity for High-Rate and Long-Life Lithium-Ion Storage
期刊论文
ACS NANO, 2017
Yang, Chao
;
Yu, Shu
;
Lin, Chunfu
;
Lv, Fan
;
Wu, Shunqing
;
Yang, Yong
;
Wang, Wei
;
Zhu, Zi-Zhong
;
Li, Jianbao
;
Wang, Ning
;
Guo, Shaojun
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
Cr0.5Nb24.5O62 material
nanowire
lithium-ion battery
electrical property
electrochemical property
TOTAL-ENERGY CALCULATIONS
HIGH-PERFORMANCE ANODE
WAVE BASIS-SET
HIGH-POWER
TINB2O7 ANODE
BATTERIES
TI2NB10O29
FRAMEWORK
CAPACITY
The low-bias conducting mechanism of single-molecule junctions constructed with methylsulfide linker groups and gold electrodes
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Wang, Minglang
;
Wang, Yongfeng
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
ATOMIC-SCALE JUNCTIONS
QUANTUM INTERFERENCE
TRANSPORT
DEVICES
DIODES
CHARGE
OLIGOTHIOPHENES
RECTIFICATION
COORDINATION
PATHWAYS
Influence of Relativistic Effects on Assembled re Structures of V-Shaped Bispyridine Molecules on M(111) Surfaces Where M = Cu, Ag, Au
期刊论文
ACS NANO, 2017
Zhang, Xue
;
Li, Na
;
Yuan, Chenyang
;
Gu, Gaochen
;
Zhang, Yajie
;
Nieckarz, Damian
;
Szabelski, Pawel
;
Hou, Shimin
;
Teo, Boon K.
;
Wang, Yongfeng
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2017/12/03
relativistic effects
STM
surface chemistry
coordination chemistry
self-assembly
ORGANIC COORDINATION NETWORKS
METAL-SURFACES
NANOSTRUCTURES
AG(111)
AU(111)
CU(111)
LAYER
POLYMERIZATION
INTERMEDIATE
DEPOSITION
Dynamic evolutions of electron properties: A theoretical study for condensed-phase beta-HMX under shock loading
期刊论文
CHEMICAL PHYSICS LETTERS, 2017
He, Zheng-Hua
;
Chen, Jun
;
Wu, Qiang
;
Ji, Guang-Fu
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
DFT calculation
Shock loading
beta-HMX
Electron properties
HIGH-PRESSURE
INITIAL DECOMPOSITION
1ST-PRINCIPLES
NITROMETHANE
MECHANISM
TATB
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