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- Wen-Juan Wang, Wen-Jie Wei and Rong-Zhen Liao*. Deciphering the chemoselectivity of nickel-dependent quercetin 2,4-dioxygenase. Phys. Chem. Chem. Phys., 2018, 20, 15784-15794..
- Ying-Ying Li, Lian-Peng Tong, Rong-Zhen Liao*. Mechanism of Water Oxidation Catalyzed by a Mononuclear Iron Complex with a Square Polypyridine Ligand: A DFT Study. Inorg. Chem. 2018, 57, 4590-4601..
- Nonredox Metal Ions Promoted Olefin Epoxidation by Iron(II) Complexes with H2O2: DFT Calculations Reveal Multiple Channels for Oxygen Transfer. Inorg. Chem. 2017, 56, 15138-15149..
- Jisheng Zhang, Wen-Jie Wei Xiaoyan Lu, Hang, Yang, Zhuqi Chen, Rongzhen Liao*, Guochuan Yin*.
- Ya-Qiong Zhang, Rong-Zhen Liao*. Reaction Mechanism of Hydrogen Evolution Catalysed by Co and Fe Complexes Containing a Tetra-dentate Phosphine Ligand – A DFT Study. Phys. Chem. Chem. Phys. 2017, 19, 32589-32596..
- Heng Song, Ke Ye, Peiyu Geng, Xiao Han, Rongzhen Liao*,Chen-Ho Tung, Wenguang Wang*. Activation of Epoxides by a Cooperative Iron−Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration. ACS Catal. 2017, 7, 7709-7717..
- Rong-Zhen Liao*,Per E. M. Siegbahn*. Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis. ChemSusChem 2017, 10, 4236-4263..
- Rong-Zhen Liao*,Per E. M. Siegbahn. Possible water association and oxidation mechanisms for a recently synthesized Mn4Ca-complex. J. Catal. 2017, 354, 169-181..
- Wen-Jie Wei, Per E. M. Siegbahn, Rong-Zhen Liao*. Theoretical Study of the Mechanism of the Nonheme Iron EnzymeEgtB. Inorg. Chem. 2017, 56, 3589-3599..
- Ying-Ying Li, Ke Ye, Per E. M. Siegbahn, Rong-Zhen Liao*. Mechanism of Water Oxidation Catalysed by a Mononuclear Manganese Complex [Py2N(tBu)2Mn(H2O)2]2+. ChemSusChem 2017, 10, 903-911..
