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The structuring effect of the alkyl domains on the polar network of ionic liquid mixtures: a molecular dynamics study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 31, 页码: 18783-18792
作者:
Mazzilli, Valerio
;
Wang, Yanting
;
Saielli, Giacomo
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/01/16
SPATIAL HETEROGENEITY
AGGREGATION
SIMULATIONS
CATIONS
Molecular Spring-like Triple-Helix Coordination Polymers as Dual-Stress and Thermally Responsive Crystalline Metal-Organic Materials
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, 卷号: 59, 期号: 37, 页码: 16061-16068
作者:
Mei, Lei
;
An, Shu-wen
;
Hu, Kong-qiu
;
Wang, Lin
;
Yu, Ji-pan
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  |  
浏览/下载:133/0
  |  
提交时间:2020/12/16
MECHANICAL-PROPERTIES
FRAMEWORKS
DESIGN
TRANSITION
RESOLUTION
PRESSURE
DRIVEN
MOTION
Complexation of trivalent lanthanides and actinides with diethylenetriaminepentaacetic acid: Theoretical unraveling of bond covalency
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 299
作者:
Chen, Yan-Mei
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
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  |  
浏览/下载:70/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
ELECTRON-DENSITY
STRUCTURAL DETERMINATION
OPTICAL SPECTROSCOPY
METAL-COMPLEXES
BASIS-SETS
ENERGY
EXTRACTION
SEPARATION
9-COORDINATE
Fundamentals and Challenges of Lithium Ion Batteries at Temperatures between-40 and 60 degrees C
期刊论文
ADVANCED ENERGY MATERIALS, 2020, 卷号: 10, 期号: 18
作者:
Hou, Junbo
;
Yang, Min
;
Wang, Deyu
;
Zhang, Junliang
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  |  
浏览/下载:32/0
  |  
提交时间:2020/12/16
SOLID-ELECTROLYTE-INTERPHASE
ACCELERATING RATE CALORIMETRY
LI-ION
THERMAL-STABILITY
CATHODE MATERIALS
ELEVATED-TEMPERATURES
SECONDARY BATTERIES
CAPACITY FADE
ELECTRODE/ELECTROLYTE INTERFACES
GRAPHITE/ELECTROLYTE INTERFACE
Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies
期刊论文
ACS OMEGA, 2020, 卷号: 5, 期号: 7, 页码: 3151-3164
作者:
Dagdag, Omar
;
Safi, Zaki
;
Qiang, Yujie
;
Erramli, Hamid
;
Guo, Lei
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  |  
浏览/下载:64/0
  |  
提交时间:2020/12/16
CORROSION INHIBITION PERFORMANCE
MOLECULAR-DYNAMICS SIMULATION
DENSITY-FUNCTIONAL THEORY
CARBON-STEEL CORROSION
MILD-STEEL
SCHIFF-BASE
HCL MEDIUM
STEREOCHEMICAL CONFORMATION
QUINOLINE DERIVATIVES
ABSOLUTE HARDNESS
Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements
期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 16, 页码: 11469-11480
作者:
Liu, Yang
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
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  |  
浏览/下载:66/0
  |  
提交时间:2020/12/16
DENSITY-FUNCTIONAL THEORY
COORDINATION CHEMISTRY
ELECTRIC-FIELD
ACTINIDE
LANTHANIDE
COMPLEXES
COVALENCY
AM(III)/EU(III)
EXTRACTION
HYDRATION
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420
作者:
Cao, Wudi
;
Senthilkumar, Beeran
;
Causin, Valerio
;
Swamy, Vincent P.
;
Wang, Yanting
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2020/06/16
MOLECULAR-DYNAMICS SIMULATIONS
SPATIAL HETEROGENEITY
THERMAL-BEHAVIOR
CHAIN-LENGTH
GUANIDINIUM
TRANSITION
AGGREGATION
TRANSPORT
INSIGHTS
STATE
Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS
期刊论文
ANALYTICAL CHEMISTRY, 2018, 卷号: 90, 期号: 5, 页码: 3341-3348
作者:
Borodin, O
;
Zhang, YY
;
Su, M
;
Yu, XF
;
Zhou, YF
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2018/12/27
CARBONATE-BASED ELECTROLYTES
DENSITY-FUNCTIONAL THEORY
MASS-SPECTROMETRY
BATTERY ELECTROLYTES
PROPYLENE CARBONATE
LI-ION
PREFERENTIAL SOLVATION
INTERPHASIAL CHEMISTRY
MOLECULAR-DYNAMICS
ETHYLENE CARBONATE
A novel 3-D bio-microfluidic system mimicking in vivo heterogeneous tumour microstructures reveals complex tumour-stroma interactions
期刊论文
LAB ON A CHIP, 2017, 卷号: 17, 期号: 16, 页码: 2852-2860
作者:
Liu, LY
;
Tian, CX
;
Farrell, JD
;
Diao, WW
;
Wang, XC
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  |  
浏览/下载:57/0
  |  
提交时间:2017/12/21
Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 11, 页码: 5864-5870
作者:
Long, GK
;
Shi, R
;
Zhou, YC
;
Li, AL
;
Kan, B
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  |  
浏览/下载:34/0
  |  
提交时间:2017/12/21
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