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清华大学 [13]
长春应用化学研究所 [9]
北京大学 [6]
厦门大学 [4]
大连理工大学 [4]
化学研究所 [2]
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期刊论文 [53]
会议论文 [3]
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2021 [2]
2019 [2]
2018 [4]
2016 [1]
2014 [1]
2013 [2]
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Geometric structure of N2O q+ (q=5, 6) studied by Ne8+ion-induced Coulomb explosion imaging*
期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 11, 页码: 9
作者:
Zhao, Xi
;
Shan, Xu
;
Zhu, Xiaolong
;
Chen, Lei
;
Shen, Zhenjie
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/01/07
Coulomb explosion
kinetic energy release
molecular geometry
ion collision
nitrous oxide (N2O)
Synergistic strengthening mechanisms of rhenium in nickel-based single crystal superalloys
期刊论文
INTERMETALLICS, 2021, 卷号: 132, 页码: 7
作者:
Yue En-Lai
;
Yu Tao
;
Wang YJ(王云江)
;
Wang Chong-Yu
收藏
  |  
浏览/下载:133/0
  |  
提交时间:2021/05/06
A
Intermetallics
B
Plastic deformation mechanisms
B
Solid-solution hardening
D
Dislocation geometry and arrangement
E
Molecular dynamics simulation
Core structures and planar faults associated with < 111 > screw superdislocations in B2 alloys)
期刊论文
INTERMETALLICS, 2019, 卷号: 110, 页码: 8
作者:
Yan, J. X.
;
Zhang, Z. J.
;
Li, K. Q.
;
Xia, Z. Y.
;
Yang, J. B.
收藏
  |  
浏览/下载:152/0
  |  
提交时间:2021/02/02
Molecular dynamics simulation
Dislocation geometry and arrangement
Planar faults
Intermetallics
Dislocation structure
Investigation of tool geometry in nanoscale cutting single-crystal copper by molecular dynamics simulation
期刊论文
Proceedings of the Institution of Mechanical Engineers, Part J: Journal of Engineering Tribology, 2019, 卷号: Vol.233 No.8, 页码: 1208-1220
作者:
Dai, HF
;
Du, H
;
Chen, JB
;
Chen, GY
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/12/17
Molecular dynamics
nanometric cutting
tool geometry
single-crystal copper
subsurface damage
The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad
期刊论文
Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405
作者:
Lu, Xiao-Juan
;
Zhang, Cai-Rong
;
Shen, Yu-Lin
;
Wu, You-Zhi
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2020/11/14
Charge transfer
Electronic structure
Excited states
Fullerenes
Geometry
Molecular orbitals
Optoelectronic devices
Porphyrins
Structural properties
Zinc
Highest occupied molecular orbital
Lowest unoccupied molecular orbital
Optoelectronic properties
Partial delocalization
Porphyrin fullerenes
Synergistic enhancement
Time dependent density functional theory
Transient intermediate
Spin-Orbit Charge Recombination Intersystem Crossing in Phenothiazine-Anthracene Compact Dyads: Effect of Molecular Conformation on Electronic Coupling, Electronic Transitions, and Electron Spin Polarizations of the Triplet States
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 页码: 27850-27865
作者:
Hou, Yuqi
;
Biskup, Till
;
Rein, Stephan
;
Wang, Zhijia
;
Bussotti, Laura
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/02
Absorption spectroscopy
Anthracene
Charge transfer
Chemical reactions
Conformations
Electrons
Electrospinning
Fluorescence
Geometry
Insecticides
Magnetic moments
Paramagnetic resonance
Potential energy
Spin dynamics
Spin polarization, Charge-transfer absorption
Electron spin polarization
Electronic transition
Inter-system crossings
Molecular conformation
Nanosecond transient absorption
Potential energy curves
Time-resolved electron paramagnetic resonances, Electron spin resonance spectroscopy
Dye-incorporated coordination polymers for direct photocatalytic trifluoromethylation of aromatics at metabolically susceptible positions
期刊论文
NATURE COMMUNICATIONS, 2018, 卷号: 9, 页码: 4024
作者:
Zhang, Tiexin
;
Guo, Xiangyang
;
Shi, Yusheng
;
He, Cheng
;
Duan, Chunying
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/02
dye
polymer
thiophene
aromatic hydrocarbon
thiophene derivative, chemical reaction
drug
dye
electron
geometry
metabolism
oxidation
polymer
redox potential, Article
arylation
chemical interaction
chemical reaction
electron transport
geometry
methylation
molecular dynamics
oxidation reduction potential
photocatalysis
radical reaction
stereoselectivity
trifluoromethylation
chemistry
halogenation
methylation, Halogenation
Hydrocarbons, Aromatic
Methylation
Thiophenes
Supramolecular Kandinsky circles with high antibacterial activity
期刊论文
NATURE COMMUNICATIONS, 2018, 卷号: 9
作者:
Wang, Heng
;
Qian, Xiaomin
;
Wang, Kun
;
Su, Ma
;
Haoyang, Wei-Wei
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/12/02
antibiotic agent
daptomycin
ligand
antiinfective agent
ligand
nanomaterial, antimicrobial activity
bacterium
eukaryote
ligand
molecular analysis
nanomaterial
pathogen, antibacterial activity
antibiotic resistance
Article
column chromatography
controlled study
drug cytotoxicity
drug design
drug isolation
drug mechanism
drug potency
drug selectivity
drug synthesis
electrospray mass spectrometry
geometry
methicillin resistant Staphylococcus aureus
minimum inhibitory concentration
molecular weight
nonhuman
polymerization
static electricity
supramolecular chemistry
Suzuki reaction
time of flight mass spectrometry
atomic force microscopy
chemical phenomena
chemistry
drug effect
isolation and purification
macromolecule
microbial sensitivity test
microbiology
pharmacology
proton nuclear magnetic resonance
Staphylococcus infection
transmission electron microscopy, Eukaryota
methicillin resistant Staphylococcus aureus
Posibacteria, Anti-Bacterial Agents
Drug Resistance, Bacterial
Hydrophobic and Hydrophilic Interactions
Ligands
Macromolecular Substances
Methicillin-Resistant Staphylococcus aureus
Microbial Sensitivity Tests
Microscopy, Atomic Force
Microscopy, Electron, Transmission
Molecular Weight
Nanostructures
Proton Magnetic Resonance Spectroscopy
Staphylococcal Infections
飞秒激光分子结构成像
期刊论文
2016, 2016
吴成印
;
许少华
;
WU Cheng-yin
;
XU Shao-hua
收藏
  |  
浏览/下载:5/0
Enhancing the blue phosphorescence of iridium complexes with a dicyclometalated phosphite ligand via aza-substitution: a density functional theory investigation
期刊论文
journal of materials chemistry c, 2014, 卷号: 2, 期号: 39, 页码: 8364-8372
Godefroid, Gahungu
;
Liu Yuqi
;
Si Yanling
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2015/10/15
LIGHT-EMITTING DEVICES
MOLECULAR-ORBITAL METHODS
ANCILLARY LIGANDS
IR(III) COMPLEXES
ENERGY-TRANSFER
EFFICIENCY
ELECTROPHOSPHORESCENCE
APPROXIMATION
EMISSION
GEOMETRY
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