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浏览/检索结果: 共206条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Recognizing the function of different silane coupling agents on MXene adsorption/barrier behavior in solvent-borne epoxy coatings: Experimental studies, density functional theory, and molecular dynamics simulations 期刊论文  OAI收割 PROGRESS IN ORGANIC COATINGS, 2024, 卷号: 192, 页码: 15 作者:  Pourhashem, Sepideh;  Hadizadeh, Mohammad Hassan;  Ji, Xiaohong;  Zhou, Ziyang;  Duan, Jizhou   |  收藏  |  浏览/下载：1/0  |  提交时间：2024/08/29 Amino-silane functionalized MXene  Nano-SiO2 decorated MXene  Corrosion resistance  Epoxy coating  Density functional theory/molecular dynamics  simulations   Elastic network models and molecular dynamic simulations reveal the molecular basis of allosteric regulation in ubiquitin-specific protease 7 (USP7) 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 162, 页码: 10 作者:  Xu, Jing;  Wang, Yiran;  Zhang, Jiali;  Abdelmoneim, Amr Abbas;  Liang, Zhongjie   |  收藏  |  浏览/下载：30/0  |  提交时间：2023/10/17 USP7  Allosteric regulation  Elastic network models  Molecular dynamics simulations   A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region 期刊论文  OAI收割 JOURNAL OF STRUCTURAL BIOLOGY, 2023, 卷号: 215, 期号: 2, 页码: 107942 作者:  Jiang, Hao;  Zu, Shijia;  Lu, Yu;  Sun, Zhongya;  Adeerjiang, Akejiang   |  收藏  |  浏览/下载：24/0  |  提交时间：2024/03/27 Small GTPases  Crystal structures of RhoA  Dynamics of switch II  Molecular dynamics simulations  Allosteric pocket   Atomistic Insights on Surface Quality Control via Annealing Process in AlGaN Thin Film Growth 期刊论文  OAI收割 NANOMATERIALS, 2023, 卷号: 13, 期号: 8, 页码: 1382 作者:  Peng Q(彭庆);  Ma ZW(马知未);  Cai, Shixian;  Zhao S(赵帅);  Chen, Xiaojia   |  收藏  |  浏览/下载：19/0  |  提交时间：2023/06/15 AlGaN thin film  molecular dynamics simulations  laser annealing  atomistic structure   Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10 作者:  Guo, Shuai;  Liu, Yawei;  Wang, Yanlei;  Dong, Kun;  Zhang, Xiangping   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/05/19 Ionic liquids  CO(2 )electrocatalytic reduction reaction  Density functional theory  Transition state  Hydrogen bond  Molecular dynamics simulations   Revisiting the structure, interaction, and dynamical property of ionic liquid from the deep learning force field 期刊论文  OAI收割 JOURNAL OF POWER SOURCES, 2023, 卷号: 555, 页码: 8 作者:  Ling, Yulong;  Li, Kun;  Wang, Mi;  Lu, Junfeng;  Wang, Chenlu   |  收藏  |  浏览/下载：29/0  |  提交时间：2023/02/24 Ionic liquids  Molecular dynamics simulations  Force field  Hydrogen bond  Machine learning   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：13/0  |  提交时间：2023/08/02 Interlayer and nanopore  Layer charge  Cation ?s concentration  Montmorillonite  Molecular dynamics simulations   Low-Density Multilayer Graphdiyne Film with Excellent Energy Dissipation Capability under Micro-Ballistic Impact 期刊论文  OAI收割 ADVANCED FUNCTIONAL MATERIALS, 2023, 页码: 9 作者:  Xiao, Kailu;  Jin, Weiyue;  Liu, Huibiao;  Huang, Chenguang;  Li, Yuliang   |  收藏  |  浏览/下载：23/0  |  提交时间：2023/02/20 dynamic energy dissipation capacity  failure morphologies  microprojectile impact testing  molecular dynamics simulations  multilayer graphdiyne   How clay delamination supports aseismic slip 期刊论文  OAI收割 AMERICAN MINERALOGIST, 2023, 卷号: 108, 期号: 1, 页码: 87-99 作者:  Zhou, Huijun;  Chen, Meng;  Zhu, Runliang;  Zhu, Jianxi   |  收藏  |  浏览/下载：14/0  |  提交时间：2024/09/26 SAN-ANDREAS FAULT  MOLECULAR-DYNAMICS  NA-MONTMORILLONITE  WEAK FAULTS  STICK-SLIP  FRICTION  WATER  SIMULATIONS  EARTHQUAKES  STABILITY   Insight into the Camel-to-Bell Transition of Differential Capacitance in Ionic Liquid-Based Supercapacitors 期刊论文  OAI收割 CHEMELECTROCHEM, 2022, 卷号: 9, 期号: 15, 页码: 8 作者:  Gan, Zhongdong;  Wang, Yanlei;  Lu, Yumiao;  Qin, Jingyu;  Nie, Yi   |  收藏  |  浏览/下载：25/0  |  提交时间：2023/02/24 charging mechanism  electrical double layer  ionic liquids  molecular dynamics simulations  supercapacitor