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理论物理研究所 [12]
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期刊论文 [16]
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Chemistry [16]
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学科主题:Chemistry
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A Machine Learning Model to Classify Dynamic Processes in Liquid Water**
期刊论文
CHEMPHYSCHEM, 2022
作者:
Huang, Jie
;
Huang, Gang
;
Li, Shiben
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/01/16
JUMP MECHANISM
CLUSTERS
EXCHANGE
SPECTROSCOPY
DIFFUSION
NETWORKS
CELL
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:8/0
  |  
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:70/0
  |  
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:3/0
  |  
提交时间:2023/01/16
Tailored electrochemical behavior of ta-C film by glancing angle deposition
期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 516
作者:
Wei, Jing
;
Guo, Peng
;
Liu, Linlin
;
Li, Hanchao
;
Li, Hao
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  |  
浏览/下载:129/0
  |  
提交时间:2020/12/16
DIAMOND-LIKE CARBON
MOLECULAR-DYNAMICS SIMULATION
THIN-FILMS
CORROSION BEHAVIOR
GROWTH
MICROSTRUCTURE
NANOMATERIALS
EVOLUTION
SURFACES
Multilayer boron nitride nanofilm as an effective barrier for atomic oxygen irradiation
期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 504
作者:
Cheng, Li
;
Shi, Yanbin
;
Hao, Yu
;
Li, Wensheng
;
Ren, Siming
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/12/16
THIN-FILMS
CORROSION
GRAPHENE
OXIDATION
LAYER
TRANSITION
SIMULATION
RESISTANCE
NANOSHEETS
POLYMERS
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:106/0
  |  
提交时间:2020/12/16
HIGH-QUALITY
GROWTH
FILMS
FIELD
Investigation of Losartan Potassium as an eco-friendly corrosion inhibitor for copper in 0.5 M H2SO4
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 305
作者:
Li, Hao
;
Zhang, Shengtao
;
Tan, Bochuan
;
Qiang, Yujie
;
Li, Wenpo
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  |  
浏览/下载:22/0
  |  
提交时间:2020/12/16
MILD-STEEL CORROSION
SULFURIC-ACID
MOLECULAR-DYNAMICS
CARBON-STEEL
IONIC LIQUIDS
ANTICORROSIVE MECHANISM
STAINLESS-STEEL
CU CORROSION
HCL SOLUTION
EXTRACT
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
Dynamic heterogeneity in aqueous ionic solutions
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 33, 页码: 21313-21324
作者:
Ren, G
;
Chen, L
;
Wang, YT
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2018/12/27
ALKALI-HALIDE SOLUTIONS
STOKES-EINSTEIN RELATION
MOLECULAR-DYNAMICS
CONDUCTIVITY RELAXATION
DIELECTRIC-SPECTROSCOPY
HOMOGENEOUS NUCLEATION
ELECTROLYTE-SOLUTIONS
SUPERCOOLED WATER
LIGHT-SCATTERING
LENNARD-JONES
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