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山东大学 [294]
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期刊论文 [285]
会议论文 [9]
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2019 [27]
2018 [27]
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2016 [11]
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Dirac cones in a snub trihexagonal tiling lattice with reflective symmetry breaking
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 15
作者:
Yang, Bo
;
Zhang, Xiaoming
;
Wang, Aizhu
;
Zhao, Mingwen
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/11
2D dirac materials
reflective symmetry
snub trihexagonal tiling
lattice
tight-binding model
first-principles calculations
First-principles study of dopant stability and related optical properties in CdSiP2 crystal
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
作者:
Wang, Ci
;
Zhang, Jian
;
Hu, Qingmiao
;
Tao, Xutang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
First-principles calculations
CdSiP2
Doping defects
Formation energy
Optical property
First-principles investigations on structural stability, elastic and electronic properties of Co7M6 (M= W, Mo, Nb) mu phases
期刊论文
MOLECULAR SIMULATION, 2019, 卷号: 45, 期号: 9, 页码: 752-758
作者:
Li, Pan
;
Zhang, Jianxin
;
Ma, Shiyu
;
Zhang, Youjian
;
Jin, Huixin
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/11
mu phase
first-principles calculations
elastic properties
electronic
properties
Nonlinear Migration Dynamics of Excess Electrons along Linear Oligopeptides Controlled by an Applied Electric Field
期刊论文
CHEMPHYSCHEM, 2019, 卷号: 20, 期号: 11, 页码: 1497-1507
作者:
Song, Xiufang
;
Fu, Qiang
;
Bu, Yuxiang
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/11
applied electric field
density functional calculations
electron
transfer
linear oligopeptides
nonlinear electron migration dynamics
Effect of Mo content on microstructure and Wear resistance of Mo-Fe-B claddings
期刊论文
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, 2019, 卷号: 81, 页码: 233-241
作者:
Jin, Jun
;
Sun, Junsheng
;
Wang, Guangle
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
Mo2FeB2
Mo content
Microstructure
Thermodynamic calculations
Wear
resistance
Effects of methylation in acceptors on the hydrogen bond complexes between 2,2,2-trifluoroethanol and cyclic ethers
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 217, 页码: 237-246
作者:
Tang, Shanshan
;
Du, Lin
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/11
FTIR
Red shift
Hydrogen bond
Quantum chemical calculations
Vacancies effect on the mechanical properties in B2 FeAl intermetallic by the first-principles study
期刊论文
Philosophical Magazine, 2019, 页码: 2703-2717
作者:
Song, Lin
;
Tian, Xuelei
;
Jiang, Huiyu
;
Yu, Wenhui
;
Zhao, Zhiyue
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/11
Ab initio calculations
electronic structure
Intermetallic
mechanical properties
vacancy formation
Theoretical study on the reaction of anthracene with sulfate radical and hydroxyl radical in aqueous solution
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 183
作者:
Liu, Wen
;
Lv, Guochun
;
Sun, Xiaomin
;
He, Lin
;
Zhang, Chenxi
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
Anthracene
Sulfate radical
Hydroxyl radical
Theoretical calculations
Rate constants
Spectroscopic investigations of transition properties for the electronic states of PN+ correlating to two lowest dissociation limits
期刊论文
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2019, 卷号: 233, 页码: 110-118
作者:
Qin, Z.
;
Zhao, J. M.
;
Liu, L. H.
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/12/11
Transition probabilities
Ab initio calculations
Spectroscopic
parameters
Spin-orbit couplings
PN+
Acetone sensing mechanism of PdO-modified hexagonal WO3 (001) surface: DFT calculations
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 495
作者:
Cao, Yue
;
Qin, Hongwei
;
Chen, Yanping
;
Hu, Jifan
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
Acetone
h-WO3
Sensing mechanism
DFT calculations
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