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The study of the optical phonon frequency of 3C-SiC by molecular dynamics simulations with deep neural network potential 期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 129, 期号: 24, 页码: 11
作者:  Chen, Wei;  Li, Liang-Sheng
收藏  |  浏览/下载:10/0  |  提交时间:2021/08/31
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:58/0  |  提交时间:2019/10/18


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