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中国科学院广州能源研究所机构知识库
Knowledge Management System Of Guangzhou Institute of Energy Conversion, CAS
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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
Authors:
Wang, Yi
;
Chen, Xiaoli
;
Lin, Shuang
;
Gao, Hui
;
Liu, Fu-Xiaomin
;
Zhou, Zhi
;
Yi, Wei
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View/Download:129/0
  |  
Submit date: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
Authors:
Liu, Yuhua
;
Chen, Jipei
;
Zhan, Kangsheng
;
Shen, Yiqiang
;
Gao, Hui
;
Yao, Lingmin
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View/Download:208/0
  |  
Submit date: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
Authors:
Gao, Hui
;
Chen, Jinzhu
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View/Download:159/0
  |  
Submit date: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
Authors:
Gao, Hui
;
Chen, Limin
;
Chen, Jinzhu
;
Guo, Yuanyuan
;
Ye, Daiqi
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View/Download:175/0
  |  
Submit date: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
Authors:
Zhang, Xuepeng
;
Gao, Hui
;
Xu, Huiying
;
Xu, Jianqiao
;
Chao, Hui
;
Zhao, Cunyuan
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View/Download:142/0
  |  
Submit date: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
Authors:
Gao, Hui
;
Huang, Jing
;
Chen, Limin
;
Liu, Ruliang
;
Chen, Jinzhu
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View/Download:138/0
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Submit date: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
Authors:
Wang, Hanlu
;
DeYonker, Nathan J.
;
Gao, Hui
;
Ji, Liangnian
;
Zhao, Cunyuan
;
Mao, Zong-Wan
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View/Download:280/55
  |  
Submit date: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
Authors:
Wang, Hanlu
;
De Yonker, Nathan J.
;
Gao, Hui
;
Tan, Caiping
;
Zhang, Xiting
;
Ji, Liangnian
;
Zhao, Cunyuan
;
Mao, Zong-Wan
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View/Download:149/0
  |  
Submit date:2016/10/28