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Quantum chemical investigation of the primary thermal pyrolysis reactions of the sodium carboxylate group in a brown coal model 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 12
作者:  Li, Jian;  Zhang, Baisheng;  Zhang, Zhiqiang;  Yan, Kefeng;  Kang, Lixun
收藏  |  浏览/下载:119/0  |  提交时间:2016/11/01
Sodium Carboxylate Group  Pyrolysis  Quantum Chemistry  Brown Coal  
Molecular dynamics simulation of the intercalation behaviors of methane hydrate in montmorillonite 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 6
作者:  Yan, KeFeng;  Li, XiaoSen;  Xu, ChunGang;  Lv, QiuNan;  Ruan, XuKe
收藏  |  浏览/下载:181/0  |  提交时间:2016/10/28
Formation Mechanism  Methane Hydrate  Molecular Dynamics Simulation  Montmorillonite  
ReaxFF molecular dynamics simulations of the initial pyrolysis mechanism of unsaturated triglyceride 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 3
作者:  Zhang, Zhiqiang;  Yan, Kefeng;  Zhang, Jilong
收藏  |  浏览/下载:129/0  |  提交时间:2016/10/28
Mechanism  Molecular Dynamics  Pyrolysis  Unsaturated Triglyceride