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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：22/0  |  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：25/0  |  提交时间：2021/10/15
Tracking the Micro-Heterogeneity and Hydrogen-bonding Interactions in Hydroxyl-Functionalized Ionic Liquid Solutions: A Combined Experimental and Computational Study 期刊论文
CHEMPHYSCHEM, 2021, 页码: 10
作者:  Zhang, Yaqin;  Tan, Xin;  Ding, Weilu;  Wang, Yanlei;  He, Hongyan
收藏  |  浏览/下载：15/0  |  提交时间：2021/08/31
Prediction of the Liquid-Liquid Extraction Properties of Imidazolium-Based Ionic Liquids for the Extraction of Aromatics from Aliphatics 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 卷号: 61, 期号: 7, 页码: 3376-3385
作者:  Yu, Tianhao;  Olsson, Emilia;  Lian, Guoping;  Liu, Lei;  Huo, Feng
收藏  |  浏览/下载：26/0  |  提交时间：2021/08/31
Molecular dynamics study on the stability of foot-and-mouth disease virus particle in salt solution 期刊论文
MOLECULAR SIMULATION, 2021, 页码: 8
作者:  Li, Chen;  Chen, Wei;  Lin, Xuan;  Zhang, Songping;  Wang, Yufei
收藏  |  浏览/下载：16/0  |  提交时间：2021/08/31
Mechanistic insight into morphological transition of Pluronic aggregates in aqueous solution via tuning hydrogen bonding strength 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 333, 页码: 9
作者:  Luo, Haiyan;  Jiang, Kun;  Wang, Xiaotian;  Liang, Xiangfeng;  Liu, Huizhou
收藏  |  浏览/下载：41/0  |  提交时间：2021/08/31
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
A Bubble-Assisted Approach for Patterning Nanoscale Molecular Aggregates 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 页码: 8
作者:  Min, Fanyi;  Zhou, Peng;  Huang, Zhandong;  Qiao, Yali;  Yu, Changhui
收藏  |  浏览/下载：28/0  |  提交时间：2021/08/31
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

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