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| N-dependent ozonation efficiency over nitrogen-containing heterocyclic contaminants: A combined density functional theory study on reaction kinetics and degradation pathways 期刊论文
Chemical Engineering Journal, 2020, 卷号: 382
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  收藏 | 浏览/下载：12/0 | 提交时间：2020/01/03 |
| Occurrence of both hydroxyl radical and surface oxidation pathways in N-doped layered nanocarbons for aqueous catalytic ozonation 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 254, 页码: 283-291
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收藏 | 浏览/下载：10/0 | 提交时间：2020/01/03
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| Study of the reaction mechanism of aluminum based composite fuel and chlorine trifluoride oxide 期刊论文
ENERGY, 2019, 卷号: 168, 页码: 393-399
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收藏 | 浏览/下载：5/0 | 提交时间：2020/01/03
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| DFT insights into the formation of sulfur vacancies over corner/edge site of Co/Ni-promoted MoS2 and WS2 under the hydrodesulfurization conditions 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 257
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收藏 | 浏览/下载：2/0 | 提交时间：2020/01/03
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| Role of oxygen vacancies and Mn sites in hierarchical Mn2O3/LaMnO3-delta perovskite composites for aqueous organic pollutants decontamination 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 245, 页码: 546-554
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收藏 | 浏览/下载：4/0 | 提交时间：2020/01/03
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| DFT insights into the direct desulfurization pathways of DBT and 4,6-DMDBT catalyzed by Co-promoted and Ni-promoted MoS2 corner sites 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 206, 页码: 249-260
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收藏 | 浏览/下载：6/0 | 提交时间：2020/01/03
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| Effect of vacancy on adsorption/dissociation and diffusion of H2S on Fe(100) surfaces: A density functional theory study 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 465, 页码: 833-845
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收藏 | 浏览/下载：4/0 | 提交时间：2020/01/03
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| Mechanism of thermal decomposition of tetramethylsilane: A flash pyrolysis vacuum ultraviolet photoionization time-of-flight mass spectrometry and density functional theory study 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 257
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收藏 | 浏览/下载：5/0 | 提交时间：2020/01/03 |
| Molecular structure and spectral characteristics of hyperoside and analysis of its molecular imprinting adsorption properties based on density functional theory 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2019, 卷号: 88, 页码: 228-236
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收藏 | 浏览/下载：11/0 | 提交时间：2020/01/03
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| The effect of oxygen vacancies and water on HCHO catalytic oxidation over Co3O4 catalyst: A combination of density functional theory and microkinetic study 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 355, 页码: 540-550
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收藏 | 浏览/下载：7/0 | 提交时间：2020/01/03
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