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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
Authors:  Li, Jian;  Zhang, Baisheng;  Zhang, Zhiqiang;  Yan, Kefeng;  Kang, Lixun
Favorite  |  View/Download:140/0  |  Submit date: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
Authors:  Yan, KeFeng;  Li, XiaoSen;  Xu, ChunGang;  Lv, QiuNan;  Ruan, XuKe
Favorite  |  View/Download:223/0  |  Submit date: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
Authors:  Zhang, Zhiqiang;  Yan, Kefeng;  Zhang, Jilong
Favorite  |  View/Download:216/0  |  Submit date:2016/10/28
Mechanism  Molecular Dynamics  Pyrolysis  Unsaturated Triglyceride