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Hydrogenation of Carbon Dioxide to Methanol Catalyzed by Iron, Cobalt, and Manganese Cyclopentadienone Complexes: Mechanistic Insights and Computational Design 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2017, 卷号: 23, 期号: 37, 页码: 8850-8856
Authors:  Ge, Hongyu;  Chen, Xiangyang;  Yang, Xinzheng
Favorite  |  View/Download:1/0  |  Submit date:2019/04/09
Base Metal Catalysts  Computational Chemistry  Cyclopentadienone Complexes  Density Functional Calculations  Hydrogenation  
Cooperative interplay between a flexible PNN-Ru(II) complex and a NaBH4 additive in the efficient catalytic hydrogenation of esters 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2017, 卷号: 7, 期号: 6, 页码: 1297-1304
Authors:  Wang, Zheng;  Chen, Xiangyang;  Liu, Bo;  Liu, Qing-bin;  Solan, Gregory A.;  Yang, Xinzheng;  Sun, Wen-Hua
Favorite  |  View/Download:18/0  |  Submit date:2018/01/10
Newly designed manganese and cobalt complexes with pendant amines for the hydrogenation of CO2 to methanol: a DFT study 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2017, 卷号: 7, 期号: 2, 页码: 348-355
Authors:  Chen, Xiangyang;  Ge, Hongyu;  Yang, Xinzheng
Favorite  |  View/Download:9/0  |  Submit date:2018/01/12
Theoretical study of the mechanism of ruthenium catalyzed dehydrogenation of methanol-water mixture to H-2 and CO2 期刊论文
Authors:  Jing, Yuanyuan;  Chen, Xiangyang;  Yang, Xinzheng
Favorite  |  View/Download:14/0  |  Submit date:2016/12/29
Reaction Mechanism  Dehydrogenation  Methanol  Ruthenium  Solvent Effect  
Mechanistic Insights and Computational Design of Transition-Metal Catalysts for Hydrogenation and Dehydrogenation Reactions 期刊论文
CHEMICAL RECORD, 2016, 卷号: 16, 期号: 5, 页码: 2364-2378
Authors:  Chen, Xiangyang;  Yang, Xinzheng
Favorite  |  View/Download:21/0  |  Submit date:2016/12/29
Catalyst Design  Dehydrogenation  Density Functional Calculations  Hydrogenation  Reaction Mechanisms  
Reversible CO Dissociation of Tricarbonyl Iodide [Fe]-Hydrogenase Models Ligating Acylmethylpyridyl Ligands 期刊论文
ORGANOMETALLICS, 2016, 卷号: 35, 期号: 17, 页码: 2993-2998
Authors:  Hu, Bowen;  Chen, Xiangyang;  Gong, Dawei;  Cui, Wen;  Yang, Xinzheng;  Chen, Dafa
Favorite  |  View/Download:19/0  |  Submit date:2016/12/29
Computational Design of Iron Diphosphine Complexes with Pendant Amines for Hydrogenation of CO2 to Methanol: A Mimic of [NiFe] Hydrogenase 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2016, 卷号: 22, 期号: 26, 页码: 8897-8902
Authors:  Chen, Xiangyang;  Jing, Yuanyuan;  Yang, Xinzheng
Favorite  |  View/Download:19/0  |  Submit date:2016/12/29
Carbon Dioxide  Density Functional Calculations  Hydrogenases  Hydrogenation  Methanol  
Bioinspired Design and Computational Prediction of Iron Complexes with Pendant Amines for the Production of Methanol from CO2 and H-2 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 卷号: 7, 期号: 6, 页码: 1035-1041
Authors:  Chen, Xiangyang;  Yang, Xinzheng
Favorite  |  View/Download:8/0  |  Submit date:2017/01/23
Unexpected Direct Hydride Transfer Mechanism for the Hydrogenation of Ethyl Acetate to Ethanol Catalyzed by SNS Pincer Ruthenium Complexes 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2016, 卷号: 22, 期号: 6, 页码: 1950-1957
Authors:  Chen, Xiangyang;  Jing, Yuanyuan;  Yang, Xinzheng
Favorite  |  View/Download:30/0  |  Submit date:2016/05/03
Density Functional Calculations  Hydrogenation  Pincer Ligands  Reaction Mechanisms  Ruthenium  
A mechanistic study and computational prediction of iron, cobalt and manganese cyclopentadienone complexes for hydrogenation of carbon dioxide 期刊论文
CHEMICAL COMMUNICATIONS, 2016, 卷号: 52, 期号: 84, 页码: 12422-12425
Authors:  Ge, Hongyu;  Chen, Xiangyang;  Yang, Xinzheng
Favorite  |  View/Download:16/0  |  Submit date:2017/01/11