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Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 8, 页码: 80505
Authors:  Shao, Ming-Zhe;  Wang, Yan-Ting;  Zhou, Xin
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MOLECULAR-DYNAMICS SIMULATION  POTENTIAL MODEL  WATER  ICE  CRYSTALLIZATION  INTERFACE  
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  
Template-based and free modeling of I-TASSER and QUARK pipelines using predicted contact maps in CASP12 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 页码: 136-151
Authors:  Zhang, CX;  Mortuza, SM;  He, BJ;  Wang, YT;  Zhang, Y
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PROTEIN-STRUCTURE PREDICTION  RESIDUE CONTACTS  SEQUENCE  ALIGNMENTS  ACCURACY  NETWORKS  ROLL  
Atomic origins of water-vapour-promoted alloy oxidation 期刊论文
NATURE MATERIALS, 2018, 卷号: 17, 期号: 6, 页码: 514
Authors:  Luo, LL;  Su, M;  Yan, PF;  Zou, LF;  Schreiber, DK;  Baer, DR;  Zhu, ZH;  Zhou, GW;  Wang, YT;  Bruemmer, SM;  Xu, ZJ;  Wang, CM
Adobe PDF(2366Kb)  |  Favorite  |  View/Download：116/0  |  Submit date：2018/12/27
TRANSMISSION ELECTRON-MICROSCOPY  OXIDE-GROWTH  DYNAMICS  VISUALIZATION  ADHERENCE  SCALES  CR  ATMOSPHERES  INTERFACE  CATALYSIS  
Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS 期刊论文
ANALYTICAL CHEMISTRY, 2018, 卷号: 90, 期号: 5, 页码: 3341-3348
Authors:  Zhang, YY;  Su, M;  Yu, XF;  Zhou, YF;  Wang, JG;  Cao, RG;  Xu, W;  Wang, CM;  Baer, DR;  Borodin, O;  Xu, K;  Wang, YT;  Wang, XL;  Xu, ZJ;  Wang, FY;  Zhu, ZH
Adobe PDF(1064Kb)  |  Favorite  |  View/Download：118/0  |  Submit date：2018/12/27
CARBONATE-BASED ELECTROLYTES  DENSITY-FUNCTIONAL THEORY  MASS-SPECTROMETRY  BATTERY ELECTROLYTES  PROPYLENE CARBONATE  LI-ION  PREFERENTIAL SOLVATION  INTERPHASIAL CHEMISTRY  MOLECULAR-DYNAMICS  ETHYLENE CARBONATE