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Combining Image Recognition and Simulation To Reproduce the Adsorption/Desorption Behaviors of Shale Gas 期刊论文
ENERGY & FUELS, 2020, 卷号: 34, 期号: 1, 页码: 258-269
作者:  Lin K(林岿);  Huang XF(黄先富);  Zhao YP(赵亚溥)
收藏  |  浏览/下载:24/0  |  提交时间:2020/03/11
Computational screening of zeolites for C3H7Cl/C3H5Cl separation and a conformation based separation mechanism 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 203, 页码: 212, 219
作者:  Zhang, YJ;  Xu, YX;  Xu, JB;  Yang, C;  Zhang, Yujia
收藏  |  浏览/下载:45/0  |  提交时间:2019/06/14
Lithium doping on 2D squaraine-bridged covalent organic polymers for enhancing adsorption properties: a theoretical study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 9, 页码: 6487-6499
作者:  Chen, Wei;  Huang, Ling;  Yi, Xianfeng;  Zheng, Anmin
收藏  |  浏览/下载:22/0  |  提交时间:2018/11/05
Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 42, 页码: 9724-9737
作者:  Li, Yanjun;  Qiu, Nianxiang;  Bai, Xiaojing;  Sun, Ningru;  Yu, Xiaohui
收藏  |  浏览/下载:30/0  |  提交时间:2018/12/04
Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 42, 页码: 9724-9737
作者:  Huang, Qing;  Qiu, Nianxiang;  Bai, Xiaojing;  Sun, Ningru;  Yu, Xiaohui
收藏  |  浏览/下载:25/0  |  提交时间:2018/12/04
Computational Screening of Zeolite Catalysts for MTO Reaction 期刊论文
CHEMISTRYSELECT, 2017, 卷号: 2, 期号: 31, 页码: 10290-10294
作者:  Sun, Lei;  Deng, Wei-Qiao;  Zhang, Ya-Dong;  Liu, Xue-Jing
收藏  |  浏览/下载:16/0  |  提交时间:2019/06/20
CHARMM-GUI 10 years for biomolecular modeling and simulation 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 15, 页码: 1114-1124
作者:  Jo, Sunhwan;  Cheng, Xi;  Lee, Jumin;  Kim, Seonghoon;  Park, Sang-Jun
收藏  |  浏览/下载:21/0  |  提交时间:2019/01/08
Using graphene to simplify the adsorption of methane on shale in MD simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 133, 页码: 99-107
作者:  Lin K;  Yuan QZ(袁泉子);  Zhao YP(赵亚溥)
收藏  |  浏览/下载:13/0  |  提交时间:2017/07/24
Progress and Prospect of Theoretical Simulation of Microporous Materials 期刊论文
acta chimica sinica, 2015, 卷号: 73, 期号: 6, 页码: 579-586
作者:  Sun Lei;  Deng Weiqiao
收藏  |  浏览/下载:15/0  |  提交时间:2015/11/17
Porphyrin-based porous sheet: Optoelectronic properties and hydrogen storage 期刊论文
国际氢能杂志, 2015
Zhu, Guizhi; Sun, Qiang; Kawazoe, Yoshiyuki; Jena, Puru
收藏  |  浏览/下载:5/0  |  提交时间:2015/11/11


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