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The Influence of Sodium Iodide Salt on the Interfacial Properties of Aqueous Methanol Solution by a Combined Molecular Simulation and Sum Frequency Generation Vibrational Spectroscopy Study 期刊论文
LANGMUIR, 2019, 卷号: 35, 期号: 21, 页码: 7050-7059
Authors:  Liu, Jianchuan;  Li, Xia;  Hou, Jian;  Li, Xun;  Lu, Zhou
Favorite  |  View/Download:2/0  |  Submit date:2019/07/26
Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite 期刊论文
FUEL, 2019, 卷号: 242, 页码: 398-407
Authors:  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping;  Tian, Yan;  Liang, Ying-Hua
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
Gasification  Lignite  Mechanism  Sulfur  ReaxFF  
Insights into the high-temperature oxidation of methylcyclohexane 期刊论文
FUEL, 2019, 卷号: 241, 页码: 273-282
Authors:  Liu, Yalan;  Li, Guangyue;  Ding, Junxia
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Methylcyclohexane  ReaxFF  Oxidation  Kinetic behaviors  
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 203-211
Authors:  Zhao, Li;  Liu, Jianyong;  Zhou, Panwang
Favorite  |  View/Download:9/0  |  Submit date:2019/06/20
Fluorescent protein  Wavelength dependent  Nonadiabatic process  Photoisomerization  
In situ reduction and exfoliation of g-C3N4 nanosheets with copious active sites via a thermal approach for effective water splitting 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2019, 卷号: 9, 期号: 4, 页码: 1004-1012
Authors:  Pawar, Rajendra C.;  Kang, Suhee;  Han, Hyuksu;  Choi, Heechae;  Lee, Caroline S.
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Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding, and Intrinsically Disordered Proteins Using Polarizable Force Fields 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 24, 页码: 7110-7116
Authors:  Wang, Anhui;  Zhang, Zhichao;  Li, Guohui
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Unexpected Chemistry from the Homogeneous Thermal Decomposition of Acetylene: An ab initio Study 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 31, 期号: 6, 页码: 761-766
Authors:  Wang, En-dong;  Li, Guang-yue;  Ding, Jun-xia;  He, Guo-zhong
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ab initio calculations  Acetylene  Combustion  Aromatic ring  Carbenes  
Solvation effects on the N-O and O-H stretching modes in hydrated NO3-(H2O)(n) clusters 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 42, 页码: 26918-26925
Authors:  Li, Huiyan;  Kong, Xiangtao;  Jiang, Ling;  Liu, Zhi-Feng
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Molecular dynamics simulation of the high-temperature pyrolysis of methylcyclohexane 期刊论文
FUEL, 2018, 卷号: 217, 页码: 185-192
Authors:  Liu, Yalan;  Ding, Junxia;  Han, Ke-Li
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Methylcyclohexane  Pyrolysis  Intermediate Reactions  Kinetic Behavior  
Universal kinetic solvent effects in acid-catalyzed reactions of biomass-derived oxygenates 期刊论文
ENERGY & ENVIRONMENTAL SCIENCE, 2018, 卷号: 11, 期号: 3, 页码: 617-628
Authors:  Walker, Theodore W.;  Chew, Alex K.;  Li, Huixiang;  Demir, Benginur;  Zhang, Z. Conrad;  Huber, George W.;  Van Lehn, Reid C.;  Dumesic, James A.
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20