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Inhibition performance of 4-mercaptopyridine toward the corrosion of carbon steel in hydrochloric acid solution 期刊论文
JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY, 2021, 页码: 15
作者:  Han, Peng;  Sun, Xin;  Zhang, Buyun;  Chang, Zhixuan;  Shen, Ji
收藏  |  浏览/下载:44/0  |  提交时间:2022/02/18
Structural and dynamical properties of H2O molecules confined within albite-quartz system under cyclic thermal loading: insights from molecular dynamic simulation 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2021, 卷号: 1245, 页码: 9
作者:  Wang, Junxia;  Ren, Weizhong;  Yan, Shilin
收藏  |  浏览/下载:29/0  |  提交时间:2022/01/05
Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2021, 卷号: 555, 页码: 8
作者:  Zhou, Ting;  Gao, Xing;  Ma, Zhiwei;  Chang, Hailong;  Shen, Tielong
收藏  |  浏览/下载:35/0  |  提交时间:2021/12/08
Visualized Reaction Tracking and Physical Property Analysis for a Picked 3D Area in a Reactive Molecular Dynamics Simulation System 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 11
作者:  Tang, Yujie;  Zheng, Mo;  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载:22/0  |  提交时间:2021/08/31
Tribological behaviors of DLC films with hierarchical surface textures under water lubrication: A molecular dynamic simulation 期刊论文
Journal of Micromechanics and Molecular Physics, 2021, 卷号: 6, 期号: 2150005, 页码: 22
作者:  Huan Chen;  Guangan Zhang;  Zhibin Lu;  Xia Li†,;  Narasimalu Srikanth
收藏  |  浏览/下载:28/0  |  提交时间:2021/12/08
Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design 期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 15
作者:  Lu, Shaoyong;  He, Xinheng;  Yang, Zhao;  Chai, Zongtao;  Zhou, Shuhua
收藏  |  浏览/下载:35/0  |  提交时间:2021/11/04
Shear deformation mechanical performance of Ni-Co alloy nanoplate by molecular dynamics simulation 期刊论文
MODERN PHYSICS LETTERS B, 2021, 卷号: 35, 期号: 19
作者:  Gao, Qing;  Lu, Xuefeng;  Guo, Xin;  Ren, Junqiang;  Xue, Hongtao
收藏  |  浏览/下载:3/0  |  提交时间:2021/10/14
Insight of Synergistic Effect between CPP and Cargo on the Facilitation Mechanisms of R7-PTX Translocation: Experiments and Molecular Simulations 期刊论文
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2021, 卷号: 161, 页码: 9
作者:  Wei, Yuping;  Zhang, Caiying;  Zhang, Man;  Niu, Qionghong;  Hui, Fengli
收藏  |  浏览/下载:37/0  |  提交时间:2021/08/31
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics 期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 156, 页码: 9
作者:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Xin;  Chen, Lei;  Sun, Laizhi
收藏  |  浏览/下载:24/0  |  提交时间:2021/08/31
Discovery of 1,5-Dihydro-4H-imidazol-4-one Derivatives as Potent, Selective Antagonists of CXC Chemokine Receptor 2 期刊论文
ACS MEDICINAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 5, 页码: 836-845
作者:  Che, Jinxin;  Wang, Zhilong;  Shen, Zheyuan;  Zhuang, Weihao;  Ying, Huazhou
收藏  |  浏览/下载:61/0  |  提交时间:2021/08/17


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