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ReaxFF simulations of hydrothermal treatment of lignite and its impact on chemical structures 期刊论文
FUEL, 2015, 卷号: 154, 页码: 243-251
Authors:  Li, Guang-Yue;  Ding, Jun-Xia;  Zhang, Hang;  Hou, Cai-Xia;  Wang, Feng;  Li, Ying-Ying;  Liang, Ying-Hua
Favorite  |  View/Download:68/0  |  Submit date:2015/11/17
Lignite  Hydrothermal  Coal Structure  Reaxff  Molecular Dynamics  
Detailed Temperature-dependent Study of n-Heptane Pyrolysis at High Temperature 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 26, 期号: 3, 页码: 329-336
Authors:  Ding, Jun-xia;  He, Guo-zhong;  Zhang, Liang
Favorite  |  View/Download:30/0  |  Submit date:2015/11/09
N-heptane  Pyrolysis  Temperature Effect  Reaxff  
TD-DFT study on the excited-state proton transfer in the fluoride sensing of a turn-off type fluorescent chemosensor based on anthracene derivatives 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2012, 卷号: 97, 页码: 746-752
Authors:  Song, Ping;  Ding, Jun-Xia;  Chu, Tian-Shu
Favorite  |  View/Download:21/0  |  Submit date:2015/11/09
Sensing Mechanism  Fluoride Fluorescence Sensor  Pet  Espt  Tddft  
Electronic structure and reactivity of a biradical cluster: Sc3O6- 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 21, 页码: 10084-10090
Authors:  Zhao, Yan-Xia;  Yuan, Jin-Yun;  Ding, Xun-Lei;  He, Sheng-Gui;  Zheng, Wei-Jun
Favorite  |  View/Download:17/0  |  Submit date:2015/11/12