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CORC

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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：19/0  |  提交时间：2021/08/31
ReaxFF Molecular Dynamics Simulations of Thermal Reactivity of Various Fuels in Pyrolysis and Combustion 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 15, 页码: 11707-11739
作者:  Li, Xiaoxia;  Zheng, Mo;  Ren, Chunxing;  Guo, Li
收藏  |  浏览/下载：22/0  |  提交时间：2021/10/15
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
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：21/0  |  提交时间：2021/08/31
Cost-effective purification process development for chimeric hepatitis B core (HBc) virus-like particles assisted by molecular dynamic simulation 期刊论文
ENGINEERING IN LIFE SCIENCES, 2021, 页码: 15
作者:  Zhang, Bingyang;  Yin, Shuang;  Wang, Yingli;  Su, Zhiguo;  Bi, Jingxiu
收藏  |  浏览/下载：52/0  |  提交时间：2021/08/31
On the association of frustrated Lewis pairs in ionic liquids: a molecular dynamics simulation study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 8
作者:  Liu, Xiaoqing;  Wang, Xiaojing;  Li, Yao;  Yu, Tianhao;  Zhao, Weizhen
收藏  |  浏览/下载：9/0  |  提交时间：2021/08/31
Dynamic trends for char/soot formation during secondary reactions of coal pyrolysis by large-scale reactive molecular dynamics 期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 155, 页码: 11
作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：16/0  |  提交时间：2021/08/31
The adsorption properties of NaY zeolite for separation of ethylene glycol and 1,2-butanediol: Experiment and molecular modelling 期刊论文
GREEN ENERGY & ENVIRONMENT, 2021, 卷号: 6, 期号: 1, 页码: 102-113
作者:  Xiong, Pei;  He, Peng;  Qu, Yixin;  Wang, Liguo;  Cao, Yan
收藏  |  浏览/下载：17/0  |  提交时间：2021/08/31
Dynamic Intermediate Profiles of Zeolite Catalyzed Methanol to Olefins Revealed by Reactive Molecular Dynamics 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 2, 页码: 1677-1690
作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li;  Ge, Wei
收藏  |  浏览/下载：48/0  |  提交时间：2021/03/29
Molecular dynamics simulations of polymerisation and crystallisation at constant chemical potential 期刊论文
MOLECULAR SIMULATION, 2020, 卷号: 46, 期号: 11, 页码: 823-828
作者:  Chen, Wei;  Ren, Ying
收藏  |  浏览/下载：16/0  |  提交时间：2020/09/22

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