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Task-specific ionic liquids as corrosion inhibitors on carbon steel in 0.5 M HCl solution: An experimental and theoretical study 期刊论文
CORROSION SCIENCE, 2019, 卷号: 153, 页码: 301-313
Authors:  Cao, Shuyun;  Liu, Dan;  Ding, Hui;  Wang, Jinghui;  Lu, Hui;  Gui, Jianzhou
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
Ionic liquid  Corrosion  Acid inhibition  Bronsted acid  Carbon steel  
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
Influence of Cobalt Crystal Structures on Activation of Nitrogen Molecule: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 17, 页码: 10956-10966
Authors:  Zhang, Bing-Yan;  Chen, Pei-Pei;  Liu, Jin-Xun;  Su, Hai-Yan;  Li, Wei-Xue
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Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7
Authors:  Zhang, Tianjie;  Zhang, Qiaoli;  Lu, Xuemei;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng
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charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves  
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
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Gasification  Lignite  Mechanism  Sulfur  ReaxFF  
A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
Authors:  Xu, Zhen-Zhen;  Fan, Hong-Jun
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binding enthalpy  conformational search  hydrogen bond  proton transfer  ternary cluster  
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
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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
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Fluorescent protein  Wavelength dependent  Nonadiabatic process  Photoisomerization  
Pt/ZSM-22 with Partially Filled Micropore Channels as Excellent Shape-Selective Hydroisomerization Catalyst 期刊论文
CHEMCATCHEM, 2019, 卷号: 11, 期号: 5, 页码: 1431-1436
Authors:  Lv, Guang;  Wang, Congxin;  Wang, Ping;  Sun, Lei;  Liu, Hao;  Qu, Wei;  Wang, Donge;  Ma, Huaijun;  Tian, Zhijian
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
hydroisomerization  partially filled micropore channels  Pt/ZSM-22  alkanes  heterogeneous catalysis  
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.
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20