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Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109151
作者:  Fu XQ(付雪琼);  Liang LH(梁立红);  Wei YG(魏悦广)
收藏  |  浏览/下载:90/0  |  提交时间:2019/12/17
Langevin dynamics with energy dissipation on periodic lattice structures modeling as an equivalent two-body method for atom-surface interactions 期刊论文
MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 12, 页码: 125507
作者:  Zeng DD(曾丹丹);  Liu C(刘崇);  Jiang JZ(蒋建政);  Fan J(樊菁)
收藏  |  浏览/下载:62/0  |  提交时间:2019/12/17
The Study of Release Mechanisms for Drug in Cyclodextrin Metal-Organic Frameworks 期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 11, 页码: 14490-14496
作者:  Liu, Congbiao;  Guo, Tao;  Li, Weimin;  Jiang, Zhiteng;  Chen, Min
收藏  |  浏览/下载:13/0  |  提交时间:2020/07/01
Predictive deep learning models for environmental properties: the direct calculation of octanol-water partition coefficients from molecular graphs 期刊论文
GREEN CHEMISTRY, 2019, 卷号: 21, 期号: 16, 页码: 4555-4565
作者:  Wang, Zihao;  Su, Yang;  Shen, Weifeng;  Jin, Saimeng;  Clark, James H.
收藏  |  浏览/下载:59/0  |  提交时间:2019/10/18
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 8, 页码: 3353-3358
作者:  Chen, Zhaoqiang;  Zhang, Xinben;  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian
收藏  |  浏览/下载:13/0  |  提交时间:2020/07/01
Molecular dynamics simulations of surfactant adsorption at oil/water interface under shear flow 会议论文
Beijing, PEOPLES R CHINA, OCT 15-18, 2017
作者:  Ren, Ying;  Zhang, Qiang;  Yang, Ning;  Xu, Ji;  Liu, Jialin
收藏  |  浏览/下载:87/0  |  提交时间:2019/06/21
Identification of avian flapping motion from non-volant winged dinosaurs based on modal effective mass analysis 期刊论文
PLOS COMPUTATIONAL BIOLOGY, 2019, 卷号: 15, 期号: 5, 页码: 16
作者:  Talori, Yaser Saffar;  Zhao, Jing-Shan;  Liu, Yun-Fei;  Lu, Wen-Xiu;  Li, Zhi-Heng
收藏  |  浏览/下载:40/0  |  提交时间:2019/09/11
A comprehensive strategy for studying protein-metabolite interactions by metabolomics and native mass spectrometry 期刊论文
TALANTA, 2019, 卷号: 194, 页码: 63-72
作者:  Qin, Qian;  Shi, Xianzhe;  Xu, Guowang;  Wang, Jiayue;  Chang, Mengmeng
收藏  |  浏览/下载:74/0  |  提交时间:2019/06/20
A comprehensive strategy for studying protein-metabolite interactions by metabolomics and native mass spectrometry 期刊论文
Talanta, 2019, 卷号: 194, 页码: 63-72
作者:  Qin, Qian;  Wang, Bohong;  Wang, Jiayue;  Chang, Mengmeng;  Xia, Tian
收藏  |  浏览/下载:109/0  |  提交时间:2019/05/08
Concurrent coupling of atomistic simulation and mesoscopic hydrodynamics for flows over soft multi-functional surfaces 期刊论文
SOFT MATTER, 2019, 卷号: 15, 期号: 8, 页码: 1747-1757
作者:  Wang, Yuying;  Li, Zhen;  Xu, Junbo;  Yang, Chao;  Karniadakis, George Em
收藏  |  浏览/下载:56/0  |  提交时间:2019/04/03


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