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CORC

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DFT study of fructose dehydration to 5-hydroxymethylfurfural catalyzed by imidazolium-based ionic liquid 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 723, 页码: 175-181
作者:  Li, Jingjing;  Yang, Yiying;  Zhang, Dongju
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/11
Mechanistic Investigation of Au(III)-Catalyzed Cycloisomerizations of N-Propargylcarboxamides 期刊论文
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2019, 卷号: 2019, 期号: 40, 页码: 6822-6829
作者:  Liu, Yuxia;  Liu, Peng;  Ling, Baoping;  Chen, Guang;  Chen, Tao
收藏  |  浏览/下载：11/0  |  提交时间：2019/12/11
First-principles study of oxygen reduction reaction on Pd-doped LaxSr1-xCoyFe1-yO3-delta cathodes of solid oxide fuel cells 期刊论文
International Journal of Hydrogen Energy, 2019, 卷号: 44, 期号: 54, 页码: 28720-28730
作者:  Wei, Mingrui;  Li, Haizhao;  Wu, Sheng;  Wang, Yun;  Guo, Guanlun
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/11
Theoretical Insight into the Au(I)-Catalyzed Intermolecular Condensation of Homopropargyl Alcohols with Terminal Alkynes: Reactant Stoichiometric Ratio-Controlled Chemodivergence 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2019, 卷号: 84, 期号: 2, 页码: 579-588
作者:  Yang, Yiying;  Li, Jinghua;  Zhu, Rongxiu;  Liu, Chengbu;  Zhang, Dongju
收藏  |  浏览/下载：15/0  |  提交时间：2019/12/11
Theoretical Insight into Ligand- and Counterion-Controlled Regiodivergent Reactivity in Synthesis of Borylated Furans: 1,2-H vs 1,2-B Migration 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 10, 页码: 9252-9261
作者:  Yang, Yiying;  Li, Jinghua;  Zhu, Rongxiu;  Liu, Chengbu;  Zhang, Dongju
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/11
Naphthalene formation pathways from phenyl radical via vinyl radical (C2H3) and vinylacetylene (C4H4): computational studies on reaction mechanisms and kinetics 期刊论文
CANADIAN JOURNAL OF CHEMISTRY, 2017, 卷号: 95, 期号: 8, 页码: 816-823
作者:  Wei, Mingrui;  Zhang, Tingting;  Li, Shunxi;  Guo, Guanlun;  Zhang, Dongju
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/16
Molecular modelling investigations on the possibility of phenanthrene dimers to be the primary nuclei of soot 期刊论文
COMBUSTION THEORY AND MODELLING, 2017, 卷号: 21, 期号: 6, 页码: 1189-1198
作者:  Wei, Mingrui;  Wu, Sheng;  Li, Fan;  Zhang, Dongju;  Zhang, Tingting
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/12
A theoretical elucidation: why does a SO3H-functionalized imidazolium-based ionic liquid catalyze the conversion of 5-hydroxymethylfurfural to levulinic acid? 期刊论文
NEW JOURNAL OF CHEMISTRY, 2017, 卷号: 41, 期号: 17, 页码: 8714-8720
作者:  Li, Jingjing;  Jing, Yaru;  Liu, Chengbu;  Zhang, Dongju
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/12
Effects of PdO modification on the performance of La0.6Sr0.4Co0.2Fe0.8O3-delta cathodes for solid oxide fuel cells: A first principle study 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2017, 卷号: 42, 期号: 36, 页码: 23180-23188
作者:  Wei, Mingrui;  Li, Haizhao;  Guo, Guanlun;  Liu, Yihui;  Zhang, Dongju
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/12
DFT Study on the Mechanism of Formic Acid Decomposition by a Well-Defined Bifunctional Cyclometalated Iridium(III) Catalyst: Self-Assisted Concerted Dehydrogenation via Long-Range Intermolecular Hydrogen Migration 期刊论文
ACS CATALYSIS, 2016, 卷号: 6, 期号: 7, 页码: 4746-4754
作者:  Li, Jingjing;  Li, Jinghua;  Zhang, Dongju;  Liu, Chengbu
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/16

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