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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  
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
Authors:  Ren, G;  Chen, L;  Wang, YT
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ALKALI-HALIDE SOLUTIONS  STOKES-EINSTEIN RELATION  MOLECULAR-DYNAMICS  CONDUCTIVITY RELAXATION  DIELECTRIC-SPECTROSCOPY  HOMOGENEOUS NUCLEATION  ELECTROLYTE-SOLUTIONS  SUPERCOOLED WATER  LIGHT-SCATTERING  LENNARD-JONES  
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
Authors:  Li, S;  Saielli, G;  Wang, YT
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ELECTROCHROMIC DEVICES  DIELECTRIC-CONSTANT  MOLECULAR-SOLVENTS  ORGANIC-MOLECULES  AQUEOUS-SOLUTIONS  DFT CALCULATIONS  FORCE-FIELD  VIOLOGEN  NMR  SIMULATIONS  
Surface structure of ionic liquids under an external electric field 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1295-1299
Authors:  Shi, R;  Wang, YT;  Shi, R (reprint author), Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Tokyo, Japan.;  Shi, R (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing, Peoples R China.
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Ionic Liquids  Surface  Molecular Dynamics Simulation  Electric Field  
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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Modulation of intra- and inter-sheet interactions in short peptide self-assembly by acetonitrile in aqueous solution 期刊论文
CHINESE PHYSICS B, 2016, 卷号: 25, 期号: 12, 页码: 128704
Authors:  Deng, L;  Zhao, YR;  Zhou, P;  Xu, H;  Wang, YT;  Xu, H (reprint author), China Univ Petr East China, Ctr Bioengn & Biotechnol, Qingdao 266580, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Wang, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China.
Adobe PDF(54699Kb)  |  Favorite  |  View/Download:116/0  |  Submit date:2017/10/13
Solvent Effect  Peptide Self-assembly  Molecular Dynamics Simulation  
Saturated sodium chloride solution under an external static electric field: A molecular dynamics study 期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 12, 页码: 126402
Authors:  Ren, G;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Nacl Solution  Nucleation  Static External Electric Field  Molecular Dynamics Simulation