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Poisson-Boltzmann theory with non-linear ion correlations 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 35, 页码: 355101
Authors:  Su, M;  Xu, ZJ;  Wang, YT
Favorite  |  View/Download:7/0  |  Submit date:2019/07/19
ELECTRIC-DOUBLE-LAYER  INTEGRAL-EQUATION  ELECTROLYTES  INVERSION  
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
Favorite  |  View/Download:11/0  |  Submit date:2018/12/27
HEXAFLUOROPHOSPHATE SALTS  CHAIN-LENGTH  FORCE-FIELD  CRYSTALS  BEHAVIOR  DIFFUSION  INSIGHTS  SYSTEMS  
Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 11, 页码: 5864-5870
Authors:  Long, GK;  Shi, R;  Zhou, YC;  Li, AL;  Kan, B;  Wu, WR;  Jeng, US;  Xu, T;  Yan, TY;  Zhang, MT;  Yang, X;  Sun, LT;  Gray-Weale, A;  Wan, XJ;  Zhang, HT;  Li, CX;  Wang, YT;  Chen, YS;  Chen, YS (reprint author), Nankai Univ, Sch Mat Sci & Engn, Collaborat Innovat Ctr Chem Sci & Engn, State Key Lab & Inst Elemento Organ Chem, Tianjin 300071, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 E Zhongguancun Rd,P Box 2735, Beijing 100190, Peoples R China.
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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  
NeBcon: protein contact map prediction using neural network training coupled with naiive Bayes classifiers 期刊论文
BIOINFORMATICS, 2017, 卷号: 33, 期号: 15, 页码: 2296-2306
Authors:  He, BJ;  Mortuza, SM;  Wang, YT;  Shen, HB;  Zhang, Y;  Zhang, Y (reprint author), Univ Michigan, Dept Computat Med & Bioinformat, Ann Arbor, MI 48109 USA.;  Zhang, Y (reprint author), Univ Michigan, Dept Biol Chem, Ann Arbor, MI 48109 USA.
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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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Intrinsic defect formation in peptide self-assembly 期刊论文
APPLIED PHYSICS LETTERS, 2015, 卷号: 107, 期号: 4, 页码: 43701
Authors:  Deng, L;  Zhao, YR;  Xu, H;  Wang, YT;  Xu, H (reprint author), China Univ Petr East China, Ctr Bioengn & Biotechnol, 66 Changjiang West Rd, Qingdao 266580, Peoples R China.
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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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Ion-Cage Interpretation for the Structural and Dynamic Changes of Ionic Liquids under an External Electric Field 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 17, 页码: 5102-5112
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.
Adobe PDF(2826Kb)  |  Favorite  |  View/Download:96/10  |  Submit date:2014/04/25
Molten Sodium-chloride  Molecular-dynamics  Double-layer  Differential Capacitance  Electromagnetic-fields  Electrolyte-solutions  Transport-properties  Computer-simulation  Stokes-einstein  Self-diffusion