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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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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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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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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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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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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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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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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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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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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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ADAPTABLE NETWORKS  STRESS-RELAXATION  RUBBER ELASTICITY  LINEAR POLYMER  SHAPE-MEMORY  BOND  TEMPERATURE  VISCOELASTICITY  COMPOSITES  KINETICS