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期刊论文 [27]
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浏览/检索结果:
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Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
期刊论文
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554
作者:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
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
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  |  
浏览/下载:13/0
  |  
提交时间:2023/01/16
SPATIAL HETEROGENEITY
AGGREGATION
SIMULATIONS
CATIONS
Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 2, 页码: 1017-1029
作者:
Liu, Shu-Xia
;
Lu, Gang
;
Zhang, Hui
;
Geng, Yi-Zhao
;
Jix, Qing
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  |  
浏览/下载:74/0
  |  
提交时间:2021/09/27
Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 2, 页码: 1017-1029
作者:
Liu, Shu-Xia
;
Lu, Gang
;
Zhang, Hui
;
Geng, Yi-Zhao
;
Jix, Qing
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/01/16
Device physics of back-contact perovskite solar cells
期刊论文
ENERGY & ENVIRONMENTAL SCIENCE, 2020, 卷号: 13, 期号: 6, 页码: 1753-1765
作者:
Yang, Zhenhai
;
Yang, Weichuang
;
Yang, Xi
;
Greer, J. C.
;
Sheng, Jiang
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  |  
浏览/下载:19/0
  |  
提交时间:2020/12/16
SIMULATION
ELECTRODES
EFFICIENT
Fundamental understanding on low-friction mechanisms at amorphous carbon interface from reactive molecular dynamics simulation
期刊论文
CARBON, 2020, 卷号: 170, 页码: 621-629
作者:
Li, Xiaowei
;
Wang, Aiying
;
Lee, Kwang-Ryeol
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  |  
浏览/下载:5/0
  |  
提交时间:2020/12/16
Cooling rate dependence of Ni-catalyzed transformation of amorphous carbon into graphene in rapid thermal processing: An experimental and reactive molecular dynamics study
期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 529
作者:
Li, Xiaowei
;
Li, Hanchao
;
Lee, Kwang-Ryeol
;
Wang, Aiying
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  |  
浏览/下载:107/0
  |  
提交时间:2020/12/16
HIGH-QUALITY
GROWTH
FILMS
FIELD
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Li, S
;
Saielli, G
;
Wang, YT
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  |  
浏览/下载:41/0
  |  
提交时间:2018/12/27
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Cao, WD
;
Wang, YT
;
Saielli, G
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  |  
浏览/下载:37/0
  |  
提交时间:2018/12/27
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Wang, YT
;
Cao, WD
;
Saielli, G
收藏
  |  
浏览/下载:76/0
  |  
提交时间:2018/12/26
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
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