{"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":"2025-12-19T09:28:40","modified_gmt":"2025-12-19T01:28:40","slug":"research","status":"publish","type":"page","link":"http:\/\/rongzhenliao.com\/index.php\/research\/","title":{"rendered":"Research"},"content":{"rendered":"\r\n<p>Our research interests lie in modeling homogeneous and enzymatic redox catalysis using quantum chemical methods.<\/p>\r\n<p><span style=\"color: #ff0000;\"><strong>Most cited publications<\/strong><\/span>:\u00a0<\/p>\r\n<p>(Updated 16th Dec. 2025)<\/p>\r\n<p>1. Margareta R. A. Blomberg, Tomasz Borowski, Fahmi Himo, <strong>Rong-Zhen Liao<\/strong>, Per E. M. Siegbahn*<br \/>Quantum Chemical Studies of Mechanisms for Metalloenzymes<br \/>Chem. Rev. 2014, 114, 3601-3658.<br \/>[527 citations]<\/p>\r\n<p>2. Xiao-Jun Su, Meng Gao, Lei Jiao, <strong>Rong-Zhen Liao<\/strong>*, Per E. M. Siegbahn, Jin-Pei Cheng, Ming-Tian Zhang*<br \/>Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution<br \/>Angew. Chem. Int. Ed. 2015, 54, 4909-4914. <br \/>[242 citations]<\/p>\r\n<p>3. 135. Ningning Sun, Jianjian Huang, Junyi Qian, Taiping Zhou, Juan Guo, Langyu Tang, Wentao Zhang, Yaming Deng, Weining Zhao, Guojiao Wu, <strong>Rongzhen Liao<\/strong>, Xi Chen*, Fangrui Zhong*, Yuzhou Wu*<br \/>Enantioselective [2+2]-cycloadditions with triplet photoenzymes<br \/>Nature 2022, 611, 715-720<br \/>[159 citations]<\/p>\r\n<p>4. <strong>Rong-Zhen Liao<\/strong>, Walter Thiel*<br \/>Convergence in the QM-only and QM\/MM Modeling of Enzymatic Reactions: a Case Study for Acetylene Hydratase<br \/>J. Comput. Chem. 2013, 34, 2389-2397.<br \/>[122 citations]<\/p>\r\n<p>5. <strong>Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*<br \/>Mechanism of Tungsten-dependent Acetylene Hydratase from Quantum Chemical Calculations.<br \/>Proc. Natl. Acda. Sci. U.S.A. 2010, 107, 22523-22527.<br \/>[99 citations]<\/p>\r\n<p>6. <strong>Rong-Zhen Liao<\/strong>, Walter Thiel*<br \/>Comparison of QM-only and QM\/MM Models for the Mechanism of Tungsten-dependent Acetylene Hydratase<br \/>J. Chem. Theory Comput. 2012, 8, 3793-3803.<br \/>[89 citations]<\/p>\r\n<p>7. Qi-Fa Chen, Ze-Yu Cheng, <strong>Rong-Zhen Liao*<\/strong>, Ming-Tian Zhang*<br \/>Bioinspired Trinuclear Copper Catalyst for Water Oxidation with a Turnover Frequency up to 20,000 s\u22121<br \/>J. Am. Chem. Soc. 2021, 143, 19761-19768.<\/p>\r\n<p>[83 citations]<\/p>\r\n<p>8. Ming Yi, Cher Hon Lau, Shu Xiong, Wenjie Wei, <strong>Rong-Zhen Liao<\/strong>, Liang Shen, Ang Lu, Yan Wang*<br \/>Zwitterion-Ag Complexes That Simultaneously Enhance Biofouling Resistance and Silver Binding Capability of Thin Film Composite Membranes <br \/>ACS Appl. Mater. Interfaces 2019, 11, 15698-15708.<\/p>\r\n<p>[73 citations]<\/p>\r\n<p>9. <strong>Rong-Zhen Liao<\/strong>*, Per E. M. Siegbahn*<br \/>Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis<br \/>ChemSusChem 2017, 10, 4236-4263.<br \/>[73 citations]<\/p>\r\n<p>10. <strong>Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*<br \/>Quantum Chemical Modeling of Enzymatic Reactions: The Case of Decarboxylation<br \/>J. Chem. Theory Comput. 2011, 7, 1494-1501.<br \/>[67 citations]<\/p>\r\n<p>11. Wael A. A. Arafa, Markus D. K\u00e4rk\u00e4s, Bao-Lin Lee, Torbj\u00f6rn \u00c5kermark, <strong>Rong-Zhen Liao<\/strong>, Hans-Martin Berends, Johannes Messinger, Per E. M. Siegbahn, Bj\u00f6rn \u00c5kermark*<br \/>Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity<br \/>Phys. Chem. Chem. Phys. 2014, 16, 11950-11964.<br \/>[66 citations]<\/p>\r\n<p><strong><span style=\"color: #ff0000;\">Theoretical collaborators<\/span><\/strong>:\u00a0<\/p>\r\n<p>Prof. Per E. M. Siegbahn\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Stockholm Univ., Sweden (34 publications together)<\/p>\r\n<p>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<p>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<p>Prof. Ruo-Zhuang Liu\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Beijing Normal Univ. (8 publications together)<\/p>\r\n<p>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<p>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<p>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<p>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<p>Prof. Evert-Jan Meijer\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Univ. of Amsterdam, Netherlands (2 publication together)<\/p>\r\n<p>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>&nbsp;<\/p>\r\n<p><strong><span style=\"color: #ff0000;\">Experimental collaborators<\/span><\/strong>:<\/p>\r\n<p>Prof. Bjorn Akermark\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Stockholm Univ., Sweden (11 publications together)<\/p>\r\n<p>Prof. Wenguang Wang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Beijing Normal Univ. (10 publications together)\u00a0 \u00a0<\/p>\r\n<p>Prof. Fang-Rui Zhong\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 HUST (7 publications together)<\/p>\r\n<p>Prof. Ming-Tian Zhang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Tsinghua Univ. (7 publications together)<\/p>\r\n<p>Prof. Li-Zhu Wu\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Tech. Inst. of Phys. and Chem. CAS (6 publications together)<\/p>\r\n<p>Pro. Shengfa Ye\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Dalian Inst. Chem. Phys. CAS\uff084 publications together)<\/p>\r\n<p>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<p>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<p>Prof. Yong-Gui Zhou\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Dalian Inst. Chem. Phys. CAS (3 publications together)<\/p>\r\n<p>Prof. You-Wei Xie\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 HUST (3 publications together)<\/p>\r\n<p>Prof. Yonggui Liao\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 HUST (2 publications together)<\/p>\r\n<p>Prof. Yan Zhang\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Tianjin Univ. (2 publications together)<\/p>\r\n<p>Prof. Chun-Mao He\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0South China Univ. Tech. (1 publication together)<\/p>\r\n<p>Prof. Lian-Peng Tong\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Guangzhou Univ. (1 publication together)<\/p>\r\n<p>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<p>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>&nbsp;<\/p>\r\n","protected":false},"excerpt":{"rendered":"<p>Our research interests lie in modeling homogeneous and  &hellip; <\/p>\n<p class=\"link-more\"><a href=\"http:\/\/rongzhenliao.com\/index.php\/research\/\" class=\"more-link\">\u7ee7\u7eed\u9605\u8bfb<span class=\"screen-reader-text\">\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":43,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/2\/revisions"}],"predecessor-version":[{"id":890,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/2\/revisions\/890"}],"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}]}}