机构

• 理论物理研究所 [5]
• 武汉岩土力学研究所 [3]
• 宁波材料技术与工程研... [2]

采集方式

• OAI收割 [10]

内容类型

• 期刊论文 [10]

发表日期

• 2023 [2]
• 2022 [1]
• 2020 [2]
• 2018 [3]
• 2016 [2]

学科主题

• Chemistry [10]
• Physics [3]
• Materials ... [2]
• Metallurgy... [1]
• Polymer Sc... [1]

筛选

浏览/检索结果: 共10条，第1-10条 帮助 限定条件 学科主题：Chemistry     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Water adsorption and diffusion in phosphoric acid-based geopolymer using molecular modeling 期刊论文  OAI收割 JOURNAL OF SOLID STATE CHEMISTRY, 2023, 卷号: 320, 期号: -, 页码: - 作者:  Hu, Haixiang;  Huang, Kangqiao;  Zhou, Wei;  Liu, Xinghong;  Chang, Xiaolin   |  收藏  |  浏览/下载：5/0  |  提交时间：2023/08/02 Phosphoric acid -based geopolymer (PABG)  Water adsorption and diffusion  Diffusion exponent  Macromolecular model  Molecular dynamics (MD) simulation   Effect of layer charge density and cation concentration on sorption behaviors of heavy metal ions in the interlayer and nanopore of montmorillonite: A molecular dynamics simulation 期刊论文  OAI收割 COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2023, 卷号: 657, 期号: -, 页码: - 作者:  Zhang, Wei;  Li, Jiang-Shan;  Chen, Shan-Xiong;  Huang, Kang;  Luo, Li-Jiao   |  收藏  |  浏览/下载：5/0  |  提交时间：2023/08/02 Interlayer and nanopore  Layer charge  Cation ?s concentration  Montmorillonite  Molecular dynamics simulations   Molecular dynamics simulation of phosphoric acid-based geopolymer 期刊论文  OAI收割 JOURNAL OF SOLID STATE CHEMISTRY, 2022, 卷号: 312, 期号: -, 页码: - 作者:  Huang, Kangqiao;  Zhou, Wei;  Hu, Haixiang;  Liu, Xinghong;  Chang, Xiaolin   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/08/02 Phosphoric acid-based geopolymer (PABG)  Molecular dynamics (MD) simulation  The modified Dreiding force field  The new macromolecular model  Structural and mechanical properties   Influence of the ion size on the stability of the smectic phase of ionic liquid crystals 期刊论文  OAI收割 SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420 作者:  Cao, Wudi;  Senthilkumar, Beeran;  Causin, Valerio;  Swamy, Vincent P.;  Wang, Yanting   |  收藏  |  浏览/下载：25/0  |  提交时间：2020/06/16 MOLECULAR-DYNAMICS SIMULATIONS  SPATIAL HETEROGENEITY  THERMAL-BEHAVIOR  CHAIN-LENGTH  GUANIDINIUM  TRANSITION  AGGREGATION  TRANSPORT  INSIGHTS  STATE   Investigation of Losartan Potassium as an eco-friendly corrosion inhibitor for copper in 0.5 M H2SO4 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 305 作者:  Li, Hao;  Zhang, Shengtao;  Tan, Bochuan;  Qiang, Yujie;  Li, Wenpo   |  收藏  |  浏览/下载：21/0  |  提交时间：2020/12/16 MILD-STEEL CORROSION  SULFURIC-ACID  MOLECULAR-DYNAMICS  CARBON-STEEL  IONIC LIQUIDS  ANTICORROSIVE MECHANISM  STAINLESS-STEEL  CU CORROSION  HCL SOLUTION  EXTRACT   Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738 作者:  Li, S;  Saielli, G;  Wang, YT   |  收藏  |  浏览/下载：39/0  |  提交时间：2018/12/27 ELECTROCHROMIC DEVICES  DIELECTRIC-CONSTANT  MOLECULAR-SOLVENTS  ORGANIC-MOLECULES  AQUEOUS-SOLUTIONS  DFT CALCULATIONS  FORCE-FIELD  VIOLOGEN  NMR  SIMULATIONS   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  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239 作者:  Cao, WD;  Wang, YT;  Saielli, G   |  收藏  |  浏览/下载：34/0  |  提交时间：2018/12/27 HEXAFLUOROPHOSPHATE SALTS  CHAIN-LENGTH  FORCE-FIELD  CRYSTALS  BEHAVIOR  DIFFUSION  INSIGHTS  SYSTEMS   How Does the Hydrogen Bonding Interaction Influence the Properties of Polybenzoxazine? An Experimental Study Combined with Computer Simulation 期刊论文  OAI收割 MACROMOLECULES, 2018, 卷号: 51, 期号: 13, 页码: 4782-4799 作者:  Zhu, Jin;  Du, Shiyu;  Liu, Xiaoqing;  Dai, Jinyue;  Liu, Yuan   |  收藏  |  浏览/下载：35/0  |  提交时间：2018/12/04 Ring-opening Polymerization  Fiber-reinforced Polybenzoxazine  Functional Benzoxazine Monomers  Thermomechanical Properties  Mechanical-properties  Molecular-dynamics  Thermal-properties  Thermoset Polymer  Network Structure  Curing Kinetics   Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690 作者:  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.   |  收藏  |  浏览/下载：19/0  |  提交时间：2017/10/13 Free Energy Calculation for Base Pair Dissociation in a DNA Duplex 期刊论文  OAI收割 ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288 作者:  Wu, SG;  Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.;  Feng, D   |  收藏  |  浏览/下载：13/0  |  提交时间：2017/10/13 Potential Of Mean Force  Hydrogen Bond  Molecular Dynamics Simulation  Umbrella Sampling