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Percolation Phase Transition from Ionic Liquids to Ionic Liquid Crystals 期刊论文
SCIENTIFIC REPORTS, 2019, 卷号: 9, 页码: 13169
Authors:  Li, Shen;  Wang, Yanting
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NANOSTRUCTURAL ORGANIZATION  SPATIAL HETEROGENEITY  DYNAMICS  
Phase Behaviors of Ionic Liquids Heating from Different Crystal Polymorphs toward the Same Smectic-A Ionic Liquid Crystal by Molecular Dynamics Simulation 期刊论文
CRYSTALS, 2019, 卷号: 9, 期号: 1, 页码: 26
Authors:  Cao, WD;  Wang, YT
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SPATIAL HETEROGENEITY  ATOMIC CHARGES  CHAIN-LENGTH  TRANSITION  INSIGHTS  DIFFUSION  STATE  
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
Authors:  Cao, WD;  Wang, YT;  Saielli, G
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HEXAFLUOROPHOSPHATE SALTS  CHAIN-LENGTH  FORCE-FIELD  CRYSTALS  BEHAVIOR  DIFFUSION  INSIGHTS  SYSTEMS  
Dual Ionic and Organic Nature of Ionic Liquids 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6, 页码: 19644
Authors:  Shi, R;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690
Authors:  Ramirez-Gonzalez, PE;  Ren, G;  Saielli, G;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 9152-9160
Authors:  Saielli, G;  Wang, YT;  Saielli, G (reprint author), Univ Padua, Unit Padova, CNR Inst Membrane Technol, Via Marzolo, I-35131 Padua, Italy.;  Saielli, G (reprint author), Univ Padua, Dept Chem Sci, Via Marzolo, I-35131 Padua, Italy.
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Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 9, 页码: 3829-3836
Authors:  Saielli, G;  Bagno, A;  Wang, YT;  Saielli, G (reprint author), CNR, Inst Membrane Technol, Unit Padova, Via Marzolo, I-35131 Padua, Italy.
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Hydrogen-bond rich ionic liquids with hydroxyl cationic tails 期刊论文
CHEMICAL PHYSICS LETTERS, 2013, 卷号: 560, 期号: -, 页码: 32-36
Authors:  Deng, L;  Shi, R;  Wang, YT;  Ou-Yang, ZC;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 E Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Molecular-dynamics Simulation  Alkyl Chain-length  Nanostructural Organization  Spatial Heterogeneity  Liquid/water Mixtures  Computer-simulations  Water  Tris(Pentafluoroethyl)Trifluorophosphate  Aggregation  Absorption  
Effect of the Chain Length on the Structure of Ionic Liquids: from Spatial Heterogeneity to Ionic Liquid Crystals 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 4, 页码: 1104-1109
Authors:  Ji, YM;  Shi, R;  Wang, YT;  Saielli, G;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 E Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Coarse-grained Models  Nanostructural Organization  Tail Aggregation  Solar-cells  Dynamics  Salts  Simulation  Behavior  Systems  
On the Structure of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models I 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 卷号: 114, 期号: 20, 页码: 6905-6921
Authors:  Yan, Tianying;  Wang, Yanting;  Knox, Craig;  Yan, TY , Nankai Univ, Inst New Energy Mat Chem, Tianjin 300071, Peoples R China
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Molecular-dynamics Simulation  1  Kerr-effect Spectra  3-dimethylimidazolium Chloride  Atom Force-field  Wavelength-dependent Fluorescence  Nanostructural Organization  Computer-simulation  Redox Processes  Hydrogen-bond  Molten-salts