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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
Authors:
Mazzilli, Valerio
;
Wang, Yanting
;
Saielli, Giacomo
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View/Download:7/0
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Submit date:2023/01/16
SPATIAL HETEROGENEITY
AGGREGATION
SIMULATIONS
CATIONS
The structuring effect of the alkyl domains on the polar network of ionic liquid mixtures: a molecular dynamics study (vol 24, pg 18783, 2022)
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 45, 页码: 28080-28080
Authors:
Mazzilli, Valerio
;
Wang, Yanting
;
Saielli, Giacomo
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View/Download:6/0
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Submit date:2023/01/16
Shear Flows in Far-from-Equilibrium Strongly Coupled Fluids
期刊论文
PHYSICAL REVIEW LETTERS, 2022, 卷号: 129, 期号: 1, 页码: 11602
Authors:
Baggioli, Matteo
;
Li, Li
;
Sun, Hao-Tian
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View/Download:6/0
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Submit date:2023/01/16
VISCOSITY
Coupled-channel approach to T-cc(+) including three-body effects
期刊论文
PHYSICAL REVIEW D, 2022, 卷号: 105, 期号: 1, 页码: 14024
Authors:
Du, Meng-Lin
;
Baru, Vadim
;
Dong, Xiang-Kun
;
Filin, Arseniy
;
Guo, Feng-Kun
;
Hanhart, Christoph
;
Nefediev, Alexey
;
Nieves, Juan
;
Wang, Qian
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View/Download:4/0
  |  
Submit date:2023/01/16
HEAVY TETRAQUARK STATES
X(3872)
STABILITY
SYMMETRY
DEUTERON
HIDDEN
Gradient nano-grained graphene as 2D thermal rectifier: A molecular dynamics based machine learning study
期刊论文
APPLIED PHYSICS LETTERS, 2022, 卷号: 121, 期号: 13, 页码: 133501
Authors:
Xu, Ke
;
Liang, Ting
;
Fu, Yuequn
;
Wang, Zhen
;
Fan, Zheyong
;
Wei, Ning
;
Xu, Jianbin
;
Zhang, Zhisen
;
Wu, Jianyang
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View/Download:3/0
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Submit date:2023/01/16
Phase behaviors of ionic liquids attributed to the dual ionic and organic nature
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601
Authors:
Tang, Chenyu
;
Wang, Yanting
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Submit date:2023/01/16
MOLECULAR-DYNAMICS SIMULATION
COARSE-GRAINED MODELS
AB-INITIO DATA
FORCE-FIELD
NANOSTRUCTURAL ORGANIZATION
SPATIAL HETEROGENEITY
BENZENE MIXTURES
TAIL AGGREGATION
CAR-PARRINELLO
CONFINED WATER
Role of an Ice Surface in the Photoreaction of Coumarins
期刊论文
LANGMUIR, 2022, 卷号: 38, 期号: 37, 页码: 11346-11353
Authors:
Zhang, Shizhong
;
Zhang, Chuanbiao
;
Fu, Yang
;
Li, Linhai
;
Huang, Chuanbing
;
Lin, Yang
;
Zhu, Chongqin
;
Francisco, Joseph S.
;
He, Zhiyuan
;
Zhou, Xin
;
Wang, Jianjun
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View/Download:5/0
  |  
Submit date:2023/01/16
SINGLE-CRYSTALS
CHEMISTRY
WATER
PHOTOCHEMISTRY
CYCLOADDITION
ADSORPTION
REACTIVITY
CHLORIDE
COMPLEX
LIGHT
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
Authors:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
;
Wang, Huabin
;
Hu, Jun
;
Fang, Haiping
;
Gao, Yi
;
Liu, Wei-Tao
;
Francisco, Joseph S.
;
Wang, Chunlei
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View/Download:12/0
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Submit date:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 3, 页码: 35602
Authors:
Chen, Yue
;
Chen, Wei
;
Chen, Xiaosong
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View/Download:3/0
  |  
Submit date:2023/01/16
EQUATION-OF-STATE
MEAN SPHERICAL APPROXIMATION
FREE-ENERGY MODEL
PERTURBATION-THEORY
FLUID MIXTURE
FORCES
NONUNIFORM
SEPARATION
SOLUTE
Molecular Dynamics Simulation of the Structural, Mechanical, and Reprocessing Properties of Vitrimers Based on a Dynamic Covalent Polymer Network
期刊论文
MACROMOLECULES, 2022, 卷号: 55, 期号: 4, 页码: 1091-1103
Authors:
Zhao, Hengheng
;
Wei, Xuefeng
;
Fang, Yue
;
Gao, Ke
;
Yue, Tongkui
;
Zhang, Liqun
;
Ganesan, Venkat
;
Meng, Fanlong
;
Liu, Jun
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View/Download:5/0
  |  
Submit date:2023/01/16
ADAPTABLE NETWORKS
STRESS-RELAXATION
RUBBER ELASTICITY
LINEAR POLYMER
SHAPE-MEMORY
BOND
TEMPERATURE
VISCOELASTICITY
COMPOSITES
KINETICS