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Hexafluoroisopropanol (HFIP)-prompted rearrangement of N-phenoxysulfonamides for the direct assembly of ortho-sulfonamide phenols: A combined experimental and computational study 期刊论文
TETRAHEDRON LETTERS, 2022, 卷号: 89, 页码: 5
作者:  Wang, Yi;  Chen, Xiaoli;  Lin, Shuang;  Gao, Hui;  Liu, Fu-Xiaomin;  Zhou, Zhi;  Yi, Wei
收藏  |  浏览/下载：71/0  |  提交时间：2023/11/21
N-phenoxysulfonamides  Ortho-sulfonamide phenols  Rearrangement  Hexafluoroisopropanol  DFT calculations  
Mechanistic study of the ligand controlled regioselectivity in iridium catalyzed C- H borylation of aromatic imines 期刊论文
RSC ADVANCES, 2018, 卷号: 8, 期号: 62, 页码: 35453-35460
作者:  Liu, Yuhua;  Chen, Jipei;  Zhan, Kangsheng;  Shen, Yiqiang;  Gao, Hui;  Yao, Lingmin
收藏  |  浏览/下载：159/0  |  提交时间：2020/10/29
Hydrogenation of biomass-derived levulinic acid to gamma-valerolactone catalyzed by PNP-Ir pincer complexes: A computational study 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2015, 卷号: 797, 页码: 165-170
作者:  Gao, Hui;  Chen, Jinzhu
收藏  |  浏览/下载：137/0  |  提交时间：2016/12/01
Hydrogenation  Catalytic Mechanism  Iridium  Density Functional Theory  Gamma-valerolactone  Levulinic Acid  
A computational study on the hydrogenation of CO2 catalyzed by a tetraphos-ligated cobalt complex: monohydride vs. dihydride 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2015, 卷号: 5, 期号: 2, 页码: 1006-1013
作者:  Gao, Hui;  Chen, Limin;  Chen, Jinzhu;  Guo, Yuanyuan;  Ye, Daiqi
收藏  |  浏览/下载：152/0  |  提交时间：2016/11/03
A density functional theory study of the hydrolysis mechanism of phosphodiester catalyzed by a mononuclear Zn(II) complex 期刊论文
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2013, 卷号: 368, 页码: 53-60
作者:  Zhang, Xuepeng;  Gao, Hui;  Xu, Huiying;  Xu, Jianqiao;  Chao, Hui;  Zhao, Cunyuan
收藏  |  浏览/下载：116/0  |  提交时间：2016/01/07
Phosphodiester  Zinc  Hydrolysis  Solvent Effect  s(n)2 Reaction  Deprotonation  
Synthesis, characterization and computational study of heterobimetallic CoFe complexes for mimicking hydrogenase 期刊论文
RSC ADVANCES, 2013, 卷号: 3, 期号: 11, 页码: 3557-3565
作者:  Gao, Hui;  Huang, Jing;  Chen, Limin;  Liu, Ruliang;  Chen, Jinzhu
收藏  |  浏览/下载：120/0  |  提交时间：2016/10/26
Mechanism of aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes: A systematic comparison DFT study 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2012, 卷号: 704, 页码: 17-28
作者:  Wang, Hanlu;  DeYonker, Nathan J.;  Gao, Hui;  Ji, Liangnian;  Zhao, Cunyuan;  Mao, Zong-Wan
浏览  |  Adobe PDF(1802Kb)  |  收藏  |  浏览/下载：222/41  |  提交时间：2016/10/27
Dft  Ruthenium  Osmium  Aquation  Nucleobase  Pk(a)  
Aquation and dimerization of osmium(II) anticancer complexes: a density functional theory study 期刊论文
RSC ADVANCES, 2012, 卷号: 2, 期号: 2, 页码: 436-446
作者:  Wang, Hanlu;  De Yonker, Nathan J.;  Gao, Hui;  Tan, Caiping;  Zhang, Xiting;  Ji, Liangnian;  Zhao, Cunyuan;  Mao, Zong-Wan
收藏  |  浏览/下载：131/0  |  提交时间：2016/10/28