{"id":2,"date":"2020-07-04T12:47:59","date_gmt":"2020-07-04T04:47:59","guid":{"rendered":"http:\/\/rongzhenliao.gz01.bdysite.com\/?page_id=2"},"modified":"2026-06-09T14:37:37","modified_gmt":"2026-06-09T06:37:37","slug":"research","status":"publish","type":"page","link":"http:\/\/rongzhenliao.com\/index.php\/research\/","title":{"rendered":"Research"},"content":{"rendered":"\r\n

Our research interests lie in modeling homogeneous and enzymatic redox catalysis using quantum chemical methods.<\/p>\r\n

Most cited publications<\/strong><\/span>:\u00a0<\/p>\r\n

(Updated 9th Jun. 2026)<\/p>\r\n

1. Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, Rong-Zhen Liao<\/strong>, Per E. M. Siegbahn*
Quantum Chemical Studies of Mechanisms for Metalloenzymes
Chem. Rev. 2014, 114, 3601-3658.
[541 citations]<\/p>\r\n

2. Xiao-Jun Su, Meng Gao, Lei Jiao, Rong-Zhen Liao<\/strong>*, Per E. M. Siegbahn, Jin-Pei Cheng, Ming-Tian Zhang*
Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution
Angew. Chem. Int. Ed. 2015, 54, 4909-4914.
[251 citations]<\/p>\r\n

3.\u00a0 Ningning Sun, Jianjian Huang, Junyi Qian, Taiping Zhou, Juan Guo, Langyu Tang, Wentao Zhang, Yaming Deng, Weining Zhao, Guojiao Wu, Rongzhen Liao<\/strong>, Xi Chen*, Fangrui Zhong*, Yuzhou Wu*
Enantioselective [2+2]-cycloadditions with triplet photoenzymes
Nature 2022, 611, 715-720
[193 citations]<\/p>\r\n

4. Rong-Zhen Liao<\/strong>, Walter Thiel*
Convergence in the QM-only and QM\/MM Modeling of Enzymatic Reactions: a Case Study for Acetylene Hydratase
J. Comput. Chem. 2013, 34, 2389-2397.
[126 citations]<\/p>\r\n

5. Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*
Mechanism of Tungsten-dependent Acetylene Hydratase from Quantum Chemical Calculations.
Proc. Natl. Acda. Sci. U.S.A. 2010, 107, 22523-22527.
[100 citations]<\/p>\r\n

6. Qi-Fa Chen, Ze-Yu Cheng, Rong-Zhen Liao*<\/strong>, Ming-Tian Zhang*
Bioinspired Trinuclear Copper Catalyst for Water Oxidation with a Turnover Frequency up to 20,000 s\u22121
J. Am. Chem. Soc. 2021, 143, 19761-19768.<\/p>\r\n

[91 citations]<\/p>\r\n

7. Rong-Zhen Liao<\/strong>, Walter Thiel*
Comparison of QM-only and QM\/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase
J. Chem. Theory Comput. 2012, 8, 3793-3803.
[90 citations]<\/p>\r\n

8. Maofu Pang, Jia-Yi Chen, Shengjie Zhang, Rong-Zhen Liao*, Chen-Ho Tung, Wenguang Wang*
Controlled partial transfer hydrogenation of quinolines by cobalt-amido cooperative catalysis
Nat. Commun. 2020, 11, 1249.<\/p>\r\n

[80 citations]<\/p>\r\n

9. Rong-Zhen Liao<\/strong>*, Per E. M. Siegbahn*
Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis
ChemSusChem 2017, 10, 4236-4263.
[76 citations]<\/p>\r\n

10. Ming Yi, Cher Hon Lau, Shu Xiong, Wenjie Wei, Rong-Zhen Liao<\/strong>, Liang Shen, Ang Lu, Yan Wang*
Zwitterion-Ag Complexes That Simultaneously Enhance Biofouling Resistance and Silver Binding Capability of Thin Film Composite Membranes
ACS Appl. Mater. Interfaces 2019, 11, 15698-15708.<\/p>\r\n

[74 citations]<\/p>\r\n

11. Ya-Jing Chen, Wen-Hao Deng, Jia-Dong Guo, Rui-Nan Ci, Chao Zhou, Bin Chen, Xu-Bing Li, Xiao-Ning Guo, Rong-Zhen Liao*, Chen-Ho Tung, Li-Zhu Wu*
Transition Metal-Free, Site-Selective C-F Arylation of Polyfluoroarenes via Electrophotocatalysis
J. Am. Chem. Soc. 2022, 144, 17261\u221217268.<\/p>\r\n

[73 citations]<\/p>\r\n

Theoretical collaborators<\/span><\/strong>:\u00a0<\/p>\r\n

Prof. Per E. M. Siegbahn\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Stockholm Univ., Sweden (34 publications together)<\/p>\r\n

Prof. Fahmi Himo\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Stockholm Univ., Sweden (19 publications together)\u00a0 \u00a0<\/p>\r\n

Prof. Jian-Guo Yu\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Beijing Normal Univ. (17 publications together)<\/p>\r\n

Prof. Ruo-Zhuang Liu\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Beijing Normal Univ. (8 publications together)<\/p>\r\n

Prof. Wei-Hai Fang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Beijing Normal Univ. (6 publications together)<\/p>\r\n

Prof. Shi-Lu Chen\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Beijing Inst. of Tech. (5 publications together)<\/p>\r\n

Prof. Yue-Jie Ai\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0North China Electric Power Univ. (4 publications together)<\/p>\r\n

Prof. Yi Luo\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Univ. Sci. Tech. China (4 publications together)<\/p>\r\n

Prof. Evert-Jan Meijer\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Univ. of Amsterdam, Netherlands (2 publication together)<\/p>\r\n

Prof. Zhenyang Lin\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Hong Kong Univ.\u00a0 Sci. Tech. (1 publication together)<\/p>\r\n

 <\/p>\r\n

Experimental collaborators<\/span><\/strong>:<\/p>\r\n

Prof. Bjorn Akermark\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Stockholm Univ., Sweden (11 publications together)<\/p>\r\n

Prof. Wenguang Wang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Beijing Normal Univ. (12 publications together)\u00a0 \u00a0<\/p>\r\n

Prof. Fang-Rui Zhong\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 HUST (7 publications together)<\/p>\r\n

Prof. Ming-Tian Zhang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Tsinghua Univ. (7 publications together)<\/p>\r\n

Prof. Li-Zhu Wu\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Tech. Inst. of Phys. and Chem. CAS (7 publications together)<\/p>\r\n

Prof. Yong-Gui Zhou\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Dalian Inst. Chem. Phys. CAS (6 publications together)<\/p>\r\n

Prof. You-Wei Xie\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 HUST (5 publications together)<\/p>\r\n

Pro. Shengfa Ye\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Dalian Inst. Chem. Phys. CAS\uff085 publications together)<\/p>\r\n

Prof. Mei Wang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Dalian Univ. of Tech. (3 publications together)<\/p>\r\n

Prof. Le-Le Duan\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Southern Univ. Sci. Tech. (3 publications together)<\/p>\r\n

Prof. Yonggui Liao\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 HUST (2 publications together)<\/p>\r\n

Prof. Yan Zhang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Tianjin Univ. (2 publications together)<\/p>\r\n

Prof. Chun-Mao He\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0South China Univ. Tech. (1 publication together)<\/p>\r\n

Prof. Lian-Peng Tong\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Guangzhou Univ. (1 publication together)<\/p>\r\n

Prof. Lei Wang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Taizhou Univ. (1 publication together)<\/p>\r\n

Prof. Qi Zhang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Fudan Univ. (1 publication together)<\/p>\r\n

 <\/p>\r\n","protected":false},"excerpt":{"rendered":"

Our research interests lie in modeling homogeneous and … <\/p>\n

\u7ee7\u7eed\u9605\u8bfb\u201cResearch\u201d<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"open","template":"","meta":[],"_links":{"self":[{"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/2"}],"collection":[{"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/comments?post=2"}],"version-history":[{"count":45,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/2\/revisions"}],"predecessor-version":[{"id":924,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/2\/revisions\/924"}],"wp:attachment":[{"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/media?parent=2"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}