Rongzhen Liao
Rongzhen Liao
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Quantum chemical studies of mechanisms for metalloenzymes
MRA Blomberg, T Borowski, F Himo, RZ Liao, PEM Siegbahn
Chemical reviews 114 (7), 3601-3658, 2014
Electrocatalytic water oxidation by a dinuclear copper complex in a neutral aqueous solution
XJ Su, M Gao, L Jiao, RZ Liao, PEM Siegbahn, JP Cheng, MT Zhang
Angewandte Chemie International Edition 54 (16), 4909-4914, 2015
Convergence in the QM‐only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase
RZ Liao, W Thiel
Journal of computational chemistry 34 (27), 2389-2397, 2013
Mechanism of tungsten-dependent acetylene hydratase from quantum chemical calculations
RZ Liao, JG Yu, F Himo
Proceedings of the National Academy of Sciences 107 (52), 22523-22527, 2010
Comparison of QM-only and QM/MM models for the mechanism of tungsten-dependent acetylene hydratase
RZ Liao, W Thiel
Journal of Chemical Theory and Computation 8 (10), 3793-3803, 2012
Enantioselective [2+ 2]-cycloadditions with triplet photoenzymes
N Sun, J Huang, J Qian, TP Zhou, J Guo, L Tang, W Zhang, Y Deng, ...
Nature 611 (7937), 715-720, 2022
Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity
WAA Arafa, MD Kärkäs, BL Lee, T Åkermark, RZ Liao, HM Berends, ...
Physical Chemistry Chemical Physics 16 (24), 11950-11964, 2014
Quantum chemical modeling of enzymatic reactions: the case of decarboxylation
RZ Liao, JG Yu, F Himo
Journal of Chemical Theory and Computation 7 (5), 1494-1501, 2011
Zwitterion–Ag complexes that simultaneously enhance biofouling resistance and silver binding capability of thin film composite membranes
M Yi, CH Lau, S Xiong, W Wei, R Liao, L Shen, A Lu, Y Wang
ACS applied materials & interfaces 11 (17), 15698-15708, 2019
Quantum chemical modeling of homogeneous water oxidation catalysis
RZ Liao, PEM Siegbahn
ChemSusChem 10 (22), 4236-4263, 2017
Ni–O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes
J Liu, JY Chen, M Jia, B Ming, J Jia, RZ Liao, CH Tung, W Wang
ACS Catalysis 9 (5), 3849-3857, 2019
Photosystem II like water oxidation mechanism in a bioinspired tetranuclear manganese complex
RZ Liao, MD Karkas, BL Lee, B Åkermark, PEM Siegbahn
Inorganic chemistry 54 (1), 342-351, 2015
Mechanism, reactivity, and selectivity of the iridium-catalyzed C (sp 3)–H borylation of chlorosilanes
G Huang, M Kalek, RZ Liao, F Himo
Chemical Science 6 (3), 1735-1746, 2015
Bioinspired Trinuclear Copper Catalyst for Water Oxidation with a Turnover Frequency up to 20000 s–1
QF Chen, ZY Cheng, RZ Liao, MT Zhang
Journal of the American Chemical Society 143 (47), 19761-19768, 2021
Theoretical study of mechanism and stereoselectivity of catalytic Kinugasa reaction
S Santoro, RZ Liao, T Marcelli, P Hammar, F Himo
The Journal of Organic Chemistry 80 (5), 2649-2660, 2015
Controlled partial transfer hydrogenation of quinolines by cobalt-amido cooperative catalysis
M Pang, JY Chen, S Zhang, RZ Liao, CH Tung, W Wang
Nature Communications 11 (1), 1249, 2020
Theoretical investigation of the reaction mechanism of the dinuclear zinc enzyme dihydroorotase
RZ Liao, JG Yu, FM Raushel, F Himo
Chemistry–A European Journal 14 (14), 4287-4292, 2008
Activation of epoxides by a cooperative iron–thiolate catalyst: intermediacy of ferrous alkoxides in catalytic hydroboration
H Song, K Ye, P Geng, X Han, R Liao, CH Tung, W Wang
ACS Catalysis 7 (11), 7709-7717, 2017
Theoretical study of mechanism and selectivity of copper-catalyzed C–H bond amidation of indoles
S Santoro, RZ Liao, F Himo
The Journal of Organic Chemistry 76 (22), 9246-9252, 2011
Theoretical study of the mechanism of the nonheme iron enzyme egtB
WJ Wei, PEM Siegbahn, RZ Liao
Inorganic Chemistry 56 (6), 3589-3599, 2017
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