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Chen, Hui
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ResearcherID: B-5666-2012
URL: http://www.researcherid.com/rid/B-5666-2012
Subject: Chemistry
Keywords: qm/mm; high-level ab initio calculations; base metal catalysis; metalloenzymes
ORCID: http://orcid.org/0000-0003-0483-8786
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This list contains papers that I have authored.

publication(s)  
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1.  Title: An Iron(II) Ylide Complex as a Masked Open-Shell Iron Alkylidene Species in Its Alkylidene-Transfer Reactions with Alkenes
 Author(s): Liu, J.; Hu, L.; Wang, L.; et al.
 Source: Journal of the American Chemical Society Volume: 139 Issue: 10 Pages: 3876-3888 Published: 2017
 Times Cited: 2
 DOI: 10.1021/jacs.7b00484
added
12-Apr-17
2.  Title: Convergent Theoretical Prediction of Reactive Oxidant Structures in Diiron Arylamine Oxygenases AurF and Cmll: Peroxo or Hydroperoxo?
 Author(s): Wang, C.; Chen, H.
 Source: Journal of the American Chemical Society Volume: 139 Issue: 37 Pages: 13038-13046 Published: 2017
 Times Cited: 0
 DOI: 10.1021/jacs.7b06343
added
11-Oct-17
3.  Title: Formation of Gas-Phase Formate in Thermal Reactions of Carbon Dioxide with Diatomic Iron Hydride Anions
 Author(s): Jiang, L. X.; Zhao, C. Y.; Li, X. N.; et al.
 Source: Angewandte Chemie-International Edition Volume: 56 Issue: 15 Pages: 4187-4191 Published: 2017
 Times Cited: 0
 DOI: 10.1002/anie.201611483
added
12-Apr-17
4.  Title: Low-Valent, High-Spin Chromium-Catalyzed Cleavage of Aromatic Carbon Nitrogen Bonds at Room Temperature: A Combined Experimental and Theoretical Study
 Author(s): Cong, X. F.; Fan, F.; Ma, P. C.; et al.
 Source: Journal of the American Chemical Society Volume: 139 Issue: 42 Pages: 15182-15190 Published: 2017
 Times Cited: 0
 DOI: 10.1021/jacs.7b08579
added
14-Nov-17
5.  Title: Mechanism of Organophosphonate Catabolism by Diiron Oxygenase PhnZ: A Third Iron-Mediated O-O Activation Scenario in Nature
 Author(s): Zhao, C. Y.; Chen, H.
 Source: Acs Catalysis Volume: 7 Issue: 5 Pages: 3521-3531 Published: 2017
 Times Cited: 0
 DOI: 10.1021/acscatal.7b00578
added
06-Jun-17
6.  Title: Mechanisms of the transfer hydroformylation catalyzed by rhodium, cobalt, and iridium complexes: Insights from density functional theory study
 Author(s): Dong, C. H.; Ji, M. S.; Yang, X. Z.; et al.
 Source: Journal of Organometallic Chemistry Volume: 833 Pages: 71-79 Published: 2017
 Times Cited: 0
 DOI: 10.1016/j.jorganchem.2017.01.021
added
12-Apr-17
7.  Title: Modeling sigma-Bond Activations by Nickel(0) Beyond Common Approximations: How Accurately Can We Describe Closed-Shell Oxidative Addition Reactions Mediated by Low-Valent Late 3d Transition Metal?
 Author(s): Hu, L. R.; Chen, K. J.; Chen, H.
 Source: Journal of Chemical Theory and Computation Volume: 13 Issue: 10 Pages: 4841-4853 Published: 2017
 Times Cited: 0
 DOI: 10.1021/acs.jctc.7b00708
added
01-Nov-17
8.  Title: Reaction Mechanisms of CO2 Reduction to Formaldehyde Catalyzed by Hourglass Ru, Fe, and Os Complexes: A Density Functional Theory Study
 Author(s): Dong, C. H.; Ji, M. S.; Yang, X. Z.; et al.
 Source: Catalysts Volume: 7 Issue: 1 Published: 2017
 Times Cited: 0
 DOI: 10.3390/catal7010005
added
12-Apr-17
9.  Title: Substrate-Dependent Two-State Reactivity in Iron-Catalyzed Alkene 2+2 Cycloaddition Reactions
 Author(s): Hu, L. R.; Chen, H.
 Source: Journal of the American Chemical Society Volume: 139 Issue: 44 Pages: 15564-15567 Published: 2017
 Times Cited: 0
 DOI: 10.1021/jacs.7b06086
added
27-Nov-17
10.  Title: What Factors Control the Reactivity of Cobalt-Imido Complexes in C-H Bond Activation via Hydrogen Abstraction?
 Author(s): Hu, Lianrui; Chen, Hui
 Source: Acs Catalysis Volume: 7 Issue: 1 Pages: 285-292 Published: 2017
 Times Cited: 1
 DOI: 10.1021/acscatal.6b02694
added
17-Feb-17
publication(s)  
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