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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:13/0
  |  
提交时间:2023/01/16
JUMP MECHANISM
CLUSTERS
EXCHANGE
SPECTROSCOPY
DIFFUSION
NETWORKS
CELL
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:17/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
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
收藏
  |  
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
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
Macroscale Superlubricity Enabled by Graphene-Coated Surfaces
期刊论文
ADVANCED SCIENCE, 2020, 卷号: 7, 期号: 4
作者:
Zhang, Zhenyu
;
Du, Yuefeng
;
Huang, Siling
;
Meng, Fanning
;
Chen, Leilei
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2020/12/16
ULTRA-LOW FRICTION
RAMAN-SPECTROSCOPY
NITROGEN ATMOSPHERE
MOLECULAR-DYNAMICS
FILMS
OXIDE
LUBRICANT
SUBSTRATE
ADHESION
WEAR
Experimental and theoretical studies on the inhibition properties of three diphenyl disulfide derivatives on copper corrosion in acid medium
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 298
作者:
Tan, Bochuan
;
Zhang, Shengtao
;
Qiang, Yujie
;
Li, Wenpo
;
Li, Hao
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  |  
浏览/下载:17/0
  |  
提交时间:2020/12/16
MILD-STEEL CORROSION
CARBON-STEEL
SULFURIC-ACID
MOLECULAR-DYNAMICS
IONIC LIQUIDS
SURFACE CHARACTERIZATION
ANTICORROSIVE MECHANISM
INDAZOLE DERIVATIVES
ORGANIC-COMPOUNDS
GREEN INHIBITOR
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
收藏
  |  
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
Gas-phase intramolecular hydroxyl-amino exchange of protonated arginine and verified by the synthetic intermediate compound
期刊论文
JOURNAL OF MASS SPECTROMETRY, 2018, 卷号: 53, 期号: 8, 页码: 700-704
作者:
Cai, Tian
;
Zhou, Jing
;
Jiang, Yan
;
Xie, Kexin
;
Fang, Dongmei
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2020/12/24
DFT calculation
ion-neutral complex
LC-MS
m/z 130 ion
protonated arginine
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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