{"id":9,"date":"2020-07-04T12:52:22","date_gmt":"2020-07-04T04:52:22","guid":{"rendered":"http:\/\/rongzhenliao.gz01.bdysite.com\/?page_id=9"},"modified":"2026-04-17T14:35:30","modified_gmt":"2026-04-17T06:35:30","slug":"publications","status":"publish","type":"page","link":"http:\/\/rongzhenliao.com\/index.php\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"\r\n

2026<\/span><\/h2>\r\n

194<\/strong><\/span>. Huatian Xiong, Jia-Yi Chen*, Jing Yang, Jun Li, Feiyang Zhang, Yuanyuan Cai, Rong-Zhen Liao<\/strong>, Licheng Sun, and Biaobiao Zhang*
Cooperation of Carboxylate and Sulfonate Ligands in a High-Efficiency Ru Catalyst for Electrocatalytic Ammonia Oxidation
J. Am. Chem. Soc. 2026, 148, 4462-4474.<\/p>\r\n

193.<\/strong><\/span> Yu-Qing Bai, Li-Xia Liu, Tong Niu, Bo Wu,* Man Li,* Rong-Zhen Liao<\/strong>, and Yong-Gui Zhou*
6-Methoxypyridine-Benzoxazole Ligand-Directed Palladium-Catalyzed Hydroacetoxylative Cyclization of Alkyne-Tethered Cyclohexadienones
Chin. J. Chem. 2026, 44, 840-848.<\/p>\r\n

2025<\/span><\/h2>\r\n

192<\/strong><\/span>. Ya-Qiong Zhang*, Tian Wu, Yu Zhang, Jia-Yi Chen, and Rong-Zhen Liao<\/strong>
Mechanism of Electrocatalytic N2O Reduction to N2 by a Rhenium Bipyridyl Carbonyl Complex
Inorg. Chem. 2025, 64, 24694-24708.<\/p>\r\n

191<\/strong><\/span>. Ying-Ying Li*, Wen-Jian Li, Haijie Sun, Ming-Zhu Li, Xing Feng, Ming-Hui Liu, Hui-Ji Li, Yuanfang Liu, Rong-Zhen Liao*<\/strong>
DFT MD Simulations Decode the Role of Explicit Solvation in Spin-Dependent O-O Bond Formation for a High-Valent Mn\u2084 Catalyst
Inorg. Chem. 2025, 64, 24674-24682.<\/p>\r\n

190<\/strong><\/span>. Xialiang Li, Xiaotong Jin, Yuchen Cao, Jianqiu Zhu, Delong Duan, Qiancheng Luo, Bin Lv, Yuhan Xu, Yanzhen Zheng, Wei Zhang, Ran Long*, Linjuan Zhang*, Rong-Zhen Liao*<\/strong>, and Rui Cao*
Promoted O2 Activation at a CoIII Center for Significantly Improved Electrocatalytic Oxygen Reduction Reaction
J. Am. Chem. Soc. 2025, 147, 43199-43205.<\/p>\r\n

189<\/strong><\/span>. Tongshuai Wang, Chao Yang, Hong Xiao, Rongzhen Liao<\/strong>, Xinyu Xu, Mingtian Zhang,* and Gang Wu*
Molecular Insights into Active Sites of Manganese Oxide Based Water Oxidation Eletrocatalysts
Angew. Chem. Int. Ed. 2025, 64, e202511664.<\/p>\r\n

188<\/strong><\/span>. Jia-Yi Chen, Yu-Chen Cao, and Rong-Zhen Liao*<\/strong>
Computational Mechanistic Study of Oxygen Reduction by an Asymmetric Pacman Dicobalt Porphyrin Catalyst
ACS Catal. 2025, 15, 19238\u221219252.<\/p>\r\n

187<\/strong><\/span>. Zhi-Bo Yang, Xin Lu, Miao-Miao Li, Han-Xiao Guo, Si-Xiang Chen, Rong-Zhen Liao, and Ying-Ying Li*
DFT Study on the Mechanism of Water Oxidation Catalyzed by a Mononuclear Copper Complex
Commun. Comput. Chem. 2025, 7, 145-151.<\/p>\r\n

186<\/strong><\/span>. Zhibing Wen, Rong Zhang, Yong Zhu, Hua Gao, Ran Zhao, Zhi Chen, Siyao Wang, Shuanglin He, Ya-Qiong Zhang*, Rong-Zhen Liao<\/strong>, Fei Li*
Electrochemical and photoelectrochemical CO2 reduction to hydrocarbons by a copper-based molecular catalyst
Chem. Eng. J. 2025, 524, 168965.<\/p>\r\n

185<\/strong><\/span>. Chunyan Wang, Hui Jiang, Ronghuan Du, Jianzhe Li, Baomin Wang, Rong-Zhen Liao*<\/strong>, Dawei Yang* and Jingping Qu
A Dicobalt Diammine Complex as an Efficient Ammonia Oxidation Electrocatalyst
CCS Chem. 2025, DOI: 10.31635\/ccschem.025.202506203.<\/p>\r\n

184<\/span><\/strong>. Ya-Qiong Zhang,* Tian Wu, Yu Zhang, and Rong-Zhen Liao*<\/strong>
Theoretical Study on Photocatalytic CO2 Reduction to Formate by a Ruthenium CNC Pincer Complex
J. Phys. Chem. A 2025, 129, 8357-8369.<\/p>\r\n

183<\/strong><\/span>. Yan-Jiang Yu, Zheng Liu, Yi-Qian Yang, Mu-Wang Chen,* Rong-Zhen Liao<\/strong>, and Yong-Gui Zhou*
Organocatalytic Kinetic Resolution of Ferroceno[c]isoquinolines through Asymmetric Transfer Hydrogenation
JACS Au 2025, 5, 3765-3774.<\/p>\r\n

182<\/strong><\/span>. Ke-Lin Xian, Wen-Jie Wei, Wen-Juan Wang, Rong-Zhen Liao*<\/strong>
Computational Study of Cobalamin-dependent Epoxyqueuosine Reductase: Formation of a Key Organometallic Intermediate with a \u201cStable-yet-Fragile\u201d Co\u2013C Bond
Inorg. Chem. 2025, 64, 15892-15904.<\/p>\r\n

181<\/strong><\/span>. Ya-Qi Wu, Peng Liu, Man Li,* Rong-Zhen Liao*<\/strong>
Voltage-Driven Navigation of Rh(III\/IV\/V) Oxidation States: Unraveling Mechanistic Secrets and Selectivity in Electrochemical C\u2212H Activation\/Annulation
ACS Catal. 2025, 15, 12756\u221212772.<\/p>\r\n

180<\/span><\/strong>. Hongmei Liu, Yuzhu Zheng, Ke-Lin Xian, Qi-Qi Hu, Rong-Zhen Liao<\/strong>, Youwei Xie*
Sulfide Synthesis via A Bioinspired C\u2212S \u03c3-Bond Metathesis
Chem. Eur. J. 2025, 31, e202500153.<\/p>\r\n

179.<\/strong><\/span> Qing Huang, Yao Xiang, Yaqi Wu, Yuzhu Zheng, Rong-Zhen Liao*<\/strong>, & Youwei Xie*
Methylations with Methanol via Bioinspired Catalytic C\u2013O Bond Cleavage
Nat. Commun. 2025, 16, 5896.<\/p>\r\n

178<\/strong><\/span>. Zhiqiang Peng, Jianglan Liu, Xiao-Yi Yang, Shengfa Ye*, Xuebin Jiang, Bin Chen, Rong-Zhen Liao*<\/strong>, Chen-Ho Tung, Wenguang Wang*, and Li-Zhu Wu
Synergistic Iron\u2212Molybdenum Effects for Selective Electrocatalytic Reduction of Nitrite to Nitric Oxide
J. Am. Chem. Soc. 2025, 147, 24014-24022.<\/p>\r\n

177<\/strong><\/span>. Wen-Hao Deng, Harry Lewin, Rong-Zhen Liao*<\/strong>, Edina Rosta*
Reaction Mechanism and Metal Selectivity of Human SAMHD1 Elucidated by QM\/MM Calculations
ACS Catal. 2025, 15, 10176-10187.<\/p>\r\n

176<\/strong><\/span>. Yi-Qian Yang, Wen-Hao Deng, Rong-Zhen Liao*<\/strong>
Mechanistic Insights into Choline Degradation Catalyzed by the Choline Trimethylamine-Lyase CutC
J. Phys. Chem. B 2025, 129, 5438-5448.<\/p>\r\n

175<\/strong><\/span>. Huatian Xiong, Jing Yang, Jun Li, Yuanyuan Cai, Feiyang Zhang, Jia-Yi Chen*, Lele Duan, Rong-Zhen Liao<\/strong>, Biaobiao Zhang*
Electrochemical Ammonia Oxidation Catalyzed by a Ruthenium Complex with a Bipyridine Disulfonate Ligand
ACS Catal. 2025, 15, 8633\u22128642.<\/p>\r\n

174<\/strong><\/span>. Jun Li, Xiaohuo Shi, Feiyang Zhang, Xingyu Lu, Ya-Qiong Zhang, Rong-Zhen Liao*<\/strong>, Biaobiao Zhang*
Electrocatalytic Ammonia Oxidation by a Ruthenium Complex Bearing a Labile 2,6-pyridinedicarboxylate Ligand
JACS Au 2025, 5, 1812\u22121821.<\/p>\r\n

173<\/strong><\/span>. Hongjie Gao, Congrong Li, Qiuting Zhao, Xiaocheng Xu, Yu-Chen Cao, Rong-Zhen Liao*<\/strong>, Wenguang Wang*
Iron-Catalyzed Regioselective C\u2550C Bond Migration and Reductive Deuteration
J. Org. Chem. 2025, 90, 6304-6312.<\/p>\r\n

172<\/strong><\/span>. Wei-Jun Kong, Haibo Wu, Jia-Yi Chen, Rong-Zhen Liao<\/strong>, Yaoyao Liu, Zhipu Luo, Ivo Pires Vilela, Pan Fang, Fahmi Himo, Jan-E. Backvall
Palladium-Catalyzed Site-Selective Regiodivergent Carbocyclization of Di- and Trienallenes: A Switch between Substituted Cyclohexene and Cyclobutene
J. Am. Chem. Soc. 2025, 147, 9909-991.<\/p>\r\n

171<\/strong><\/span>. Ya-Qiong Zhang*, Jia-Yi Chen, Man Li* and Rong-Zhen Liao*<\/strong>
Theoretical Study on the Mechanism of the Electrocatalytic CO2 Reduction to Formate by an Iron Schiff Base Complex
Inorg. Chem. 2025, 64, 4657-4672.<\/p>\r\n

170<\/strong><\/span>. Gao-Wei Wang, Mu-Wang Chen*, Ya-Qi Wu, Qing-Xian Xie, Zheng Liu, Rong-Zhen Liao*,<\/strong>\u00a0and Yong-Gui Zhou*
Design and Synthesis of Chiral Bidentate Phosphine-Free 2\u2011Hydroxypyridine-Oxazoline Ligands for Manganese-Catalyzed Hydrogenation
ACS Catal. 2025, 15, 3418\u22123427.<\/p>\r\n

169<\/strong><\/span>. Qin-Qin Hu, Qi-Fa Chen, Hong-Tao Zhang*, Jia-Yi Chen*, Rong-Zhen Liao<\/strong>, Ming-Tian Zhang*
Selective Hydroxylation of Benzene to Phenol via CuII(\u03bc-O\u2022)CuII intermediate by a Nonsymmetric Dicopper Catalyst
Dalton Trans. 2025, 54,1896-1904.<\/p>\r\n

2024<\/span><\/h2>\r\n

168<\/strong><\/span>. Ying-Ying Li*, Aaron Eisses, Evert Jan Meijer*, Si-Xiang Chen, Rong-Zhen Liao*<\/strong>
Unraveling the Role of the Nitrate Ion and Solvent Water on the O-O Bond Formation Step in Fe-TAML Catalyzed Water Oxidation
ChemCatChem 2024, 16, e202401356.<\/p>\r\n

167<\/strong><\/span>. Kaiwen Li, Man Li, Shuangfeng Dong, Shuang-Long Li, Zhuqi Chen, Rong-Zhen Liao<\/strong>, and Guochuan Yin*
Factors Affecting the Formation and Transformation of the Intermediates in Pd(II)-Catalyzed Aromatic C\u2013H Activation: A Comprehensive Study with the Pd(II)\/LA Platform
J. Org. Chem. 2024, 89, 13540-13555.<\/p>\r\n

166<\/strong><\/span>. Wen-Hao Deng, You Lu*, Rong-Zhen Liao*<\/strong>
Computational insights into chemoselectivity of Trans-4-Hydroxy-L-Proline dehydratase HypD
J. Catal. 2024, 439, 115736.<\/p>\r\n

165<\/span><\/strong>. Hai-Xu Wang, Han-Zhang Liu, Ya-Qiong Zhang, Shu-Lin Meng, Xu-Zhe Wang, Chen Ye, Xu-Bing Li, Rong-Zhen Liao*<\/strong>, Chen-Ho Tung, Li-Zhu Wu*
Manipulating Iron(II) Carbonyl Intermediate for Efficient Carbon Dioxide Reduction
CCS Chem. 2024, 6, 2971\u20132981.<\/p>\r\n

164<\/strong><\/span>. Wen-Hao Deng, Rong-Zhen Liao*<\/strong>
Cysteine Radical and Glutamate Collaboratively Enable C\u2012H Bond Activation and C\u2012N Bond Cleavage in a Glycyl Radical Enzyme HplG
J. Chem. Inf. Model. 2024, 64, 4168-4179. [pdf<\/a><\/span><\/span>]<\/p>\r\n

163<\/span><\/strong>. Ying-Ying Li*, Rong-Zhen Liao*<\/strong>
Exploring the Cooperation of the Redox Non-innocent Ligand and Di-Cobalt Center for the Water Oxidation Reaction Catalyzed by a Binuclear Complex
ChemSusChem 2024, 17, e202400123. [pdf<\/a><\/span><\/span>]<\/p>\r\n

162<\/span><\/strong>. Haitao Tian, Cai-Yun Ding, Rong-Zhen Liao<\/strong>, Man Li* and Conghui Tang*
Cobalt-Catalyzed Acceptorless Dehydrogenation of Primary Amines to Nitriles
J. Am. Chem. Soc. 2024, 146, 11801-11810. [pdf<\/a><\/span><\/span>]<\/p>\r\n

161<\/span><\/strong>. Rui Sun, Yang Jiang, Hao-Ran Chen, Xuebin Jiang, Yu-Chen Cao, Shengfa Ye*, Rong-Zhen Liao*<\/strong>, Chen-Ho Tung and Wen-Guang Wang*
Bimetallic H2 Addition and Intramolecular Caryl\u2212H Activation Mediated by an Iron-Zinc Hydride
Inorg. Chem. 2024, 63, 6082-6091. [pdf<\/a><\/span><\/span>]<\/p>\r\n

160<\/strong><\/span>. Li Jiang, Yiqian Yang, Lin Huang, Yan Zhou, Junwei An, Yuchun Zheng, Yiwei Chen, Yanhong Liu, Jianhui Huang, Ee Lui Ang, Suwen Zhao, Huimin Zhao, Rong-Zhen Liao*<\/strong>, Yifeng Wei*, Yan Zhang*
Glycyl radical enzymes catalyzing dehydration of two isomers of N-methyl-4-hydroxyproline
ACS Catal. 2024, 14, 4407-4422.[pdf<\/a><\/span><\/span>]<\/p>\r\n

159<\/span><\/strong>. Jianjian Huang, Tai-Ping Zhou, Ningning Sun, Huaibin Yu, Xixiang Yu, Rong-Zhen Liao*<\/strong>, Weijun Yao, Guojiao Wu, Fangrui Zhong*
Accessing ladder-shape azetidine-fused indoline pentacycles through intermolecular regiodivergent aza-Patern\u00f2-B\u00fcchi reactions
Nat. Commun. 2024, 15, 1431.[pdf<\/a><\/span><\/span>]<\/p>\r\n

158<\/strong><\/span>. Chao Zhou, Zan Liu, Ge Liang, Ya-Qiong Zhang, Tao Lei, Bin Chen, Rong-Zhen Liao<\/strong>, Chen-Ho Tung, and Li-Zhu Wu*
Regioselective Diels\u2212Alder Reactions of Anthracenes with Olefins via Visible Light Photocatalysis in Homogeneous Solution
Org. Lett. 2024, 26, 1116\u22121121. [pdf<\/a><\/span><\/span>]<\/p>\r\n

157<\/strong><\/span>. Wen-Jie Wei*, Rong-Zhen Liao*<\/strong>
Mechanistic Insights into the electron-transfer driven substrate activation by [4Fe-4S]-dependent Enzymes
ChemCatChem, 2024, 16, e202301712. [pdf<\/a>]<\/span><\/span> (Review)<\/p>\r\n

156<\/strong><\/span>. Qi-Fa Chen, Ke-Lin Xian, Hong-Tao Zhang*, Xiao-Jun Su, Rong-Zhen Liao*<\/strong>, and Ming-Tian Zhang*
Pivotal Role of Geometry Regulation on O\u2212O Bond Formation Mechanism of Bimetallic Water Oxidation Catalysts
Angew. Chem. Int. Ed. 2024, 64, e202317514. [pdf<\/a>]<\/span><\/span><\/p>\r\n

155<\/strong>.<\/span> Yang Zhao, Xiang Li, Wen-Hao Deng, Bo Wu*, Rong-Zhen Liao*<\/strong>, Yong-Gui Zhou*
Dearomatization of [2.2]Paracyclophane-Derived Cyclic N-sulfonylimines through Cyclopropanation with Sulfur Ylides
J. Org. Chem. 2024, 89, 321-329. [pdf<\/a>]<\/span><\/span><\/p>\r\n

154<\/strong>.<\/span> Ke-Lin Xian, Qi Zhang, Rong-Zhen Liao*<\/strong>
Theoretical Study on the Mechanism of Tryptophan Methylation Catalyzed by the Cobalamin-dependent Radical Enzyme TsrM
J. Catal. 2024, 429, 115280.[pdf<\/a>]<\/span><\/span><\/p>\r\n

153<\/strong>.<\/span> Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao<\/strong>, and Man Li*
Mechanism of Photocatalytic CO2 Reduction to HCOOH by a Robust Multifunctional Iridium Complex
Dalton Trans. 2024, 53, 684-698.[pdf<\/a>]<\/span><\/span><\/p>\r\n

152<\/strong>.<\/span> Lei Sun, Han Wang, Die Bai, Chang-Bin Yu, Bo, Wu, Rong-Zhen Liao*<\/strong> and Yong-Gui Zhou*
Asymmetric Auto-Tandem Palladium Catalysis for \u03b1,\u03b2-Unsaturated Lactones: Merging Olefin and Ester Hydrogenation
CCS Chem. 2024, 6, 1987\u20131999.[pdf<\/a>]<\/span><\/span><\/p>\r\n

2023<\/span><\/h2>\r\n

151<\/strong>.<\/span>\u00a0 Yongxian Li, Jia-Yi Chen, Xinchao Zhang, Zhiqiang Peng, Qiyi Miao, Wang Chen, Fei Xie, Rong-Zhen Liao*<\/strong>, Shengfa Ye*, Chen-Ho Tung, Wenguang Wang*
Electrocatalytic Interconversions of CO2 and Formate on a Versatile Iron-Thiolate Platform
J. Am. Chem. Soc. 2023, 145, 26915-26924.[pdf<\/a>]
<\/span><\/span><\/p>\r\n

150.<\/strong><\/span> Wen-Hao Deng, Tai-Ping Zhou, Rong-Zhen Liao*<\/strong>
Computational exploration of enzyme promiscuity: mechanisms of O2 and NO reduction activities of the Desulfovibrio gigas flavodiiron protein
ACS Catal. 2023, 13, 16318-16336. [pdf<\/a>]
<\/span><\/span><\/p>\r\n

149<\/strong><\/span>. Yu-Qing Bai, Xin-Wei Wang, Bo Wu*, Xiao-Qing Wang, Rong-Zheng Liao<\/strong>, Man Li*, and Yong-Gui Zhou*
Design and Synthesis of Planar-Chiral Oxazole\u2013Pyridine N,N-Ligands: Application in Palladium-Catalyzed Asymmetric Acetoxylative Cyclization
ACS Catal. 2023, 13, 9829-9838.[pdf<\/a>]
<\/span><\/span><\/p>\r\n

148<\/strong><\/span>. Die Bai, Man Li*, Rong-Zhen Liao*<\/strong>
Theoretical Study on the Rhodium-Catalyzed Electrochemical C\u2013H Phosphorylation: Insights into the Effect of Electro-oxidation on the Reaction Mechanism
ACS Catal. 2023, 13, 9352\u22129365.[pdf<\/a>]<\/span><\/span><\/p>\r\n

147<\/strong><\/span>. Jia-Yi Chen, Man Li*, Rong-Zhen Liao*<\/strong>
Mechanistic Insights into Photochemical CO2 Reduction to CH4 by a Molecular Iron-Porphyrin Catalyst
Inorg. Chem. 2023, 62, 9400-9417.[pdf<\/a>]<\/span><\/span><\/p>\r\n

146<\/strong><\/span>. Hongmei Liu, Qing Huang, Rong-Zhen Liao<\/strong>, Man Li*, Youwei Xie*<\/span>
Ring-closing C\u2013O\/C\u2013O metathesis of ethers with primary aliphatic alcohols<\/span>
Nat. Commun. 2023, 14, 1833.[pdf<\/a>]<\/span><\/span><\/p>\r\n

145. <\/strong><\/span>Yu-Chen Cao, Rong-Zhen Liao*<\/strong>
QM calculations revealed that outer-sphere electron transfer boosted O-O bond cleavage in the multiheme-dependent cytochrome bd oxygen reductase
Inorg. Chem. 2023, 62, 4066-4075.[pdf<\/a>]<\/p>\r\n

144. <\/strong><\/span>Huan Guo, Ningning Sun, Juan Guo, Tai-Ping Zhou, LangyuTang, Wentao Zhang, Yaming Deng, Rong-Zhen Liao<\/strong>, Yuzhou Wu, Guojiao Wu, and Fangrui Zhong*
Expanding Promiscuity of a Copper-Dependent Oxidase for the Enantioselective Cross-Coupling of Indoles
Angew. Chem. Int. Ed. 2023, e202219034.[pdf<\/a>]<\/p>\r\n

143.\u00a0<\/strong><\/span>Cai-Yun Ding, Man Li*, Rong-Zhen Liao*<\/strong>
Mechanistic Insights into the Synergistic Effect of Palladium(0) and Copper(I) on the Selective Transformation of Isocyanate to Indole
Chem. Asian J. 2023, 18, e202201259.[pdf<\/a>]<\/p>\r\n

142.<\/strong><\/span>\u00a0 Yu-Chen Cao, Le-Le Shi, Man Li*, Bo You, and Rong-Zhen Liao*<\/strong>
Deciphering the selectivity of the electrochemical CO2 reduction to CO by cobalt porphyrin catalyst in neutral aqueous solution: Insights from DFT calculations
ChemistryOpen 2023, 12, e2022002.[pdf<\/a>]<\/p>\r\n

141.<\/strong><\/span> Wen-Jie Wei*, Rong-Zhen Liao*<\/strong>
QM\/MM study of the [4Fe-4S]-dependent (R)-2-hydroxyisocaproyl-CoA dehydratase: Dehydration via a redox pathway with an \u03b1-carbonyl radical intermediate
J. Catal. 2023, 421, 419-430.[pdf<\/a>]<\/p>\r\n

140.<\/span><\/strong> Qi-Fa Chen, Yao Xiao, Rong-Zhen Liao*<\/strong>, Ming-Tian Zhang*
Trinuclear Nickel Catalyst (TNC-Ni) for Water Oxidation: Intramolecular Proton-Coupled Electron Transfer Triggered Trimetallic Cooperative O-O Bond Formation
CCS Chem. 2023, 5, 245\u2013256.[pdf<\/a>]<\/p>\r\n

139.<\/strong><\/span> Wen-Hao Deng, Rong-Zhen Liao*<\/strong>
Sequential C\u2013H methylation Catalyzed by the B12-dependent SAM Enzyme TokK: Comprehensive Theoretical Study of Selectivities
Chem. Eur. J. 2023, 29, e202202995.[pdf<\/a>]<\/p>\r\n

138.<\/strong><\/span>\u00a0Jingwen Xue, Rong-Zhen Liao<\/strong>, Jinjin Li, Yu-Chen Cao, Ya-Qiong Zhang*
The capture of carbonyl sulfide by N-methyldiethanolamine: A systematic density functional theory investigation
J. Chin. Chem. Soc. 2023, 70, 528-538.[pdf<\/a>]<\/p>\r\n

2022<\/span><\/h2>\r\n

137.<\/strong><\/span> Shunzhi Huang, Wen-Hao Deng, Rong-Zhen Liao*<\/strong>, Chunmao He*
Repurposing the Nitric Oxide Transport Hemoprotein\u2014Nitrophorin 2 for Olefin Cyclopropanation
ACS Catal. 2022, 12, 13725-13731.[pdf<\/a>]<\/p>\r\n

136.<\/strong><\/span> Le-Le Shi, Man Li*, Bo You, Rong-Zhen Liao*<\/strong>
Theoretical study on electrocatalytic reduction of carbon dioxide to methanol by cobalt phthalocyanine
Inorg. Chem. 2022, 61, 16549-16564.[pdf<\/a>]<\/p>\r\n

135.<\/strong><\/span> 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.[pdf<\/a>]<\/p>\r\n

134.<\/strong><\/span> Ya-Qiong Zhang, Zi-Han Wang, Man Li*, Rong-Zhen Liao*<\/strong>
Understanding the Chemoselectivity Switch in Photocatalytic CO2 Reduction by Co and Fe Complexes Bearing a Pentadentate N5 Ligand
J. Catal. 2022, 414, 277-293. [pdf<\/a>]<\/p>\r\n

133.<\/strong><\/span> 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*<\/strong>, 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. [pdf<\/a>]<\/p>\r\n

132.<\/strong><\/span> Rui Sun, Wen-Hao Deng, Boying Yu, Yilei Lu, Xiaofang Zhai, Rong-Zhen Liao*<\/strong>, Chen-Ho Tung, Wenguang Wang*
Hydroboration of the (C5Me5)Fe(1,2-Ph2PC6H4) System To Derive Hydridoborate and Hydridosilicate Complexes
Organometallics 2022, 41, 2504\u22122512. [pdf<\/a>]<\/p>\r\n

131.<\/strong><\/span> Yuzhu Zheng, Xiong Fang, Wen-Hao Deng, Bin Zhao, Rong-Zhen Liao<\/strong>, Youwei Xie*
Direct activation of alcohols via perrhenate ester formation for an intramolecular dehydrative Friedel\u2013Crafts reaction
Org. Chem. Front. 2022, 9, 4277-4286.[pdf<\/a>]<\/p>\r\n

130.<\/strong><\/span> Tai-Ping Zhou, Wen-Hao Deng, Yuzhou Wu, Rong-Zhen Liao*<\/strong>
QM\/MM Calculations Suggested Concerted O\u2012O Bond Cleavage and Substrate Oxidation by Nonheme Diiron Toluene\/o-xylene Monooxygenase
Chem. Asian J. 2022, 17, e202200490.[pdf<\/a>]<\/p>\r\n

129.<\/strong><\/span> Wen-Hao Deng, Rong-Zhen Liao*<\/strong>
Computational Study revealed a \u201cPull-Push\u201d Radical Transfer Mechanism of Mmp10-Catalyzed C\u03b4<\/sub>-methylation of Arginine
Chem. Commun. 2022, 58, 7144-7147.[pdf<\/a>]<\/p>\r\n

128.<\/strong><\/span> Yongxu Duan, Yifeng Wei, Meining Xing, Jiayi Liu, Li Jiang, Qiang Lu, Xumei Liu, Yanhong Liu,Ee Lui Ang, Rong-Zhen Liao<\/strong>, Zhiguang Yuchi,* Huimin Zhao,* Yan Zhang*
Anaerobic Hydroxyproline Degradation Involving C\u2212N Cleavage by a Glycyl Radical Enzyme
J. Am. Chem. Soc. 2022, 144, 9715-9722.[pdf<\/a>]<\/p>\r\n

127.<\/strong><\/span> Jingyang Qin, Tong Zhou, Taiping Zhou, Langyu Tang, Honghua Zuo, Huaibin Yu, Guojiao Wu, Yuzhou Wu, Rong-Zhen Liao*<\/strong>, Fangrui Zhong*
Catalytic Atroposelective C-H Amination of Indoles
Angew. Chem. Int. Ed. 2022, 61, e202205159.[pdf<\/a>]<\/p>\r\n

126.<\/strong><\/span> Man Li*, Rong-Zhen Liao*<\/strong>
Water Oxidation Catalyzed by a Bioinspired Tetranuclear Manganese Complex: Mechanistic Study and Prediction
ChemSusChem 2022, 15, e202200187. [pdf<\/a>]<\/p>\r\n

125.<\/strong><\/span> Liqun Hu, Yibing Liu, Xiong, Fang, Yuzhu Zheng, Rong-Zhen Liao<\/strong>, Man Li*, Youwei Xie*
An Intermolecular Hydroarylation of Highly Deactivated Styrenes Catalyzed by Re2O7\/HReO4 in Hexafluoroisopropanol
ACS Catal. 2022, 12, 5857-5863.[pdf<\/a>]<\/p>\r\n

124.<\/strong><\/span> Maofu Pang, Le-Le Shi, Yufang Xie, Tianyi Geng, Lan Liu, Rong-Zhen Liao*<\/strong>, Chen-Ho Tung, Wenguang Wang*
A Cobalt-Catalyzed Selective Dearomatization of Pyridines to N\u2212H 1,4-Dihydropyridines
ACS Catal. 2022, 12, 5013-5021.[pdf<\/a>]<\/p>\r\n

123.<\/strong><\/span> Yongxian Li, Jia-Yi Chen, Qiyi Miao, Xin Yu, Lei Feng, Rong-Zhen Liao*<\/strong>, Shengfa Ye*, Chen-Ho Tung, Wenguang Wang*
A Parent Iron Amido Complex in Catalysis of Ammonia Oxidation
J. Am. Chem. Soc. 2022, 144, 4365-4375.[pdf<\/a>]<\/p>\r\n

122.<\/span><\/strong> Ya-Qiong Zhang, Ying-Ying Li, Feliu Maseras, Rong-Zhen Liao*<\/strong>
Mechanism and Selectivity of Photocatalyzed CO2 Reduction by a Function-Integrated Ru Catalyst
Dalton Trans. 2022, 51, 3747-3759.[pdf<\/a>]<\/p>\r\n

121.<\/strong><\/span> Yufang Xie, Qiyi Miao, Wenhao Deng, Yilei Lu, Yinuo Yang, Xiaohui Chen, Rong-Zhen Liao<\/strong>, Shengfa Ye, Chen-Ho Tung, Wenguang Wang*
Diamidonaphthalene Complex to Mixed-Valent Co(II)Co(III), Co(III)(\u03bc-H)Co(III), and Co(III)(\u03bc-OH)Co(III) Derivatives
Inorg. Chem. 2022, 61, 2204-2210.[pdf<\/a>]<\/p>\r\n

120.<\/span><\/strong> Chao Zhou, Qi-Chao Gan, Tai-Ping Zhou, Tao Lei, Chen Ye, Xiao-Jun He, Bin Chen, Rong-Zhen Liao*<\/strong>, Chen-Ho Tung, Heng Lu, Qian Wan, Li-Zhu Wu*
Site-Selective N-1 and C-3 Heteroarylation of Indole with Heteroarylnitriles by Organocatalysis under Visible Light
Angew. Chem. Int. Ed. 2022, 61, e202116421.[pdf<\/a>]<\/p>\r\n

119.<\/span><\/strong> Ying-Ying Li, Rong-Zhen Liao*<\/strong>
Mechanism of water oxidation catalyzed by vitamin B12: redox non-innocent nature of corrin ligand and crucial role of phosphate
Chin. Chem. Lett. 2022, 33, 358-361. [pdf<\/a>]<\/p>\r\n

118.<\/strong><\/span> Shuang Zhou, Wen-Jie Wei, Rong-Zhen Liao*<\/strong>
QM\/MM Study of the Mechanism of the Noncanonical S\u2011\u03b3 Bond Scission in S\u2011Adenosylmethionine Catalyzed by the CmnDph2 Radical Enzyme
Top. Catal. 2022, 65, 517-527. [pdf<\/a>]<\/p>\r\n

2021<\/span><\/h2>\r\n

117.<\/strong><\/span> Wen-Hao Deng, You Lu*, Rong-Zhen Liao*<\/strong>
Revealing the Mechanism of Isethionate Sulfite-Lyase by QM\/MM Calculations
J. Chem. Inf. Model. 2021, 61, 5871-5882.[pdf<\/a>]<\/p>\r\n

116.<\/span><\/strong> Jiale Liu, Rong-Zhen Liao<\/strong>, Frank W. Heinemann, Karsten Meyer, Randolph P. Thummel, Yaqiong Zhang*, Lianpeng Tong*
Electrocatalytic Hydrogen Evolution by Cobalt Complexes with a Redox Non-Innocent Polypyridine Ligand
Inorg. Chem. 2021, 60, 23, 17976-17985.[pdf<\/a>]<\/p>\r\n

115.<\/span><\/strong> 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<\/sup>
J. Am. Chem. Soc. 2021, 143, 19761-19768.[pdf<\/a>]<\/p>\r\n

114.<\/span><\/strong> Xu-Zhe Wang, Shu-Lin Meng, Jia-Yi Chen, Hai-Xu Wang, Yang Wang, Shuai Zhou, Xu-Bing Li, Rong-Zhen Liao*<\/strong>, Chen-Ho Tung, Li-Zhu Wu*
Mechanistic Insights Into Iron(II) Bis(pyridyl)amine-Bipyridine Skeleton for Selective CO2 Photoreduction
Angew. Chem. Int. Ed. 2021, 60, 26072-26079. [pdf<\/a>]<\/p>\r\n

113.<\/span><\/strong> Yadong Zhou, Yanhong Wang, Jiaojiao Cao, Zhuo Zeng, Taiping Zhou, Rong-Zhen Liao<\/strong>, Tao Wang, Zhenxing Wang, Zhengcai Xia, Zhongwen Ouyang, Hongcheng Lu*
CoMOF5<\/sub>(pyrazine)(H2<\/sub>O)2<\/sub> (M = Nb, Ta): Two-Layered Cobalt Oxyfluoride Antiferromagnets with Spin Flop Transitions
Inorg. Chem. 2021, 60, 13309-13319.[pdf<\/a>]<\/p>\r\n

112.<\/span><\/strong> Xiaofei Xie, Hong Pan, Tai-Ping Zhou, Man-Yi Han, Lei Wang*, Xiao Geng, Yongmin Ma, Rong-Zhen Liao*<\/strong>, Zhi-Ming Wang, Jianguo Yang, Pinhua Li*
ortho-Ethynyl group assisted regioselective and diastereoselective [2 + 2] cross-photocycloaddition of alkenes under photocatalyst-, additive-, and solvent-free conditions
Org. Chem. Front. 2021, 8, 5872-5887.[pdf<\/a>]<\/p>\r\n

111.<\/span><\/strong> Ying-Ying Li, Evert-Jan Meijer*, Rong-Zhen Liao*<\/strong>
Elucidating the Role of Aqueous Solvent in an Iron-Based Water Oxidation System by DFT-based Molecular Dynamics Simulations
ChemCatChem 2021, 13, 4251-4259. [pdf<\/a>]<\/p>\r\n

110.<\/span><\/strong>\u00a0 Xiang Wan, Man Li*, Rong-Zhen Liao*<\/strong>
Ligand assisted hydride transfer: a pivotal step for CO2 hydroboration catalyzed by a mononuclear Mn(I) PNP complex
Chem. Asian J. 2021, 16, 2529-2537. [pdf<\/a>]<\/p>\r\n

109.<\/strong><\/span>\u00a0 Rong-Zhen Liao*<\/strong>, Jing-Xuan Zhang, Zhenyang Lin, Per E. M. Siegbahn
Antiferromagnetically Coupled [Fe8S9] Cluster Catalyzed Acetylene Reduction in a Nitrogenase-like Enzyme DCCPCh: Insights from QM\/MM Calculations
J. Catal. 2021, 398, 67-75. [pdf<\/a>]<\/p>\r\n

108.<\/span><\/strong> Hong-Tao Zhang, Xiao-Jun Su, Fei Xie, Rong-Zhen Liao*<\/strong>, Ming-Tian Zhang*
Iron Catalyzed Water Oxidation: O\u2010O Bond Formation via Intramolecular Two Oxo Interaction
Angew. Chem. In. Ed. 2021, 60, 12467-12474. (Hot paper)[pdf<\/a>]<\/p>\r\n

107.<\/span><\/strong> Yang Ni, Xiang Wan, Honghua Zuo, Muhammad Adnan Bashir, Yu Liu, Huaibin Yu, Rong-Zhen Liao<\/strong>, Guojiao Wu*, Fangrui Zhong*
Iron-catalyzed cross-dehydrogenative C\u2013H amidation of benzofurans and benzothiophenes with anilines
Org. Chem. Front. 2021, 8, 1490-1495.[pdf<\/a>]<\/p>\r\n

106.<\/span><\/strong> Ziyang Zhang#, Yingtao Luo#, Huawen Peng, Yu Chen*, Rong-Zhen Liao*<\/strong>, Qiang Zhao*
Deep spatial representation learning of polyamide nanofiltration membranes
J. Mem. Sci. 2021, 620, 118910. [pdf<\/a>]<\/p>\r\n

105.<\/span><\/strong> Tai-Ping Zhou, Fangrui Zhong*, Yuzhou Wu, Rong-Zhen Liao*<\/strong>
Regioselectivity and stereoselectivity of intramolecular [2 + 2] photocycloaddition catalyzed by chiral thioxanthone: a quantum chemical study
Org. Biomol. Chem. 2021, 19, 1532-1540. [pdf<\/a>]\u00a0<\/p>\r\n

2020<\/span><\/h2>\r\n

104.<\/span><\/strong> \u00a0Per E. M. Siegbahn*, Rong-Zhen Liao*<\/strong>
Energetics for Proton Reduction in FeFe Hydrogenase
J. Phys. Chem. A 2020, 124, 10540\u221210549.[pdf<\/a>]<\/p>\r\n

103.<\/span><\/strong> Yong Yang, Jing Yang, Fei Li, Rong-Zhen Liao<\/strong>, Lele Duan*
Water Oxidation Catalyzed by Ruthenium Complexes with 4-Hydroxypyridine-2,6-dicarboxylate as a Negatively Charged Tridentate Ligand
Eur. J. Inorg. Chem. 2020, 2238-2245. [pdf<\/a>]<\/p>\r\n

102.<\/strong><\/span> Yong Yang, Zhenyu Zhang, Xiaoyong Chang, Ya-Qiong Zhang, Rong-Zhen Liao, Lele Duan*
Highly Active Manganese-Based CO2 Reduction Catalysts with Bulky NHC Ligands: A Mechanistic Study
Inorg. Chem. 2020, 59, 10234-10242.\u00a0[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

101. <\/span><\/strong>Ya-Qiong Zhang, Jia-Yi Chen, Per E. M. Siegbahn, Rong-Zhen Liao*<\/strong>
Harnessing Noninnocent Porphyrin Ligand to Circumvent Fe-Hydride Formation in the Selective Fe-Catalyzed CO2 Reduction in Aqueous Solution
ACS Catal. 2020, 10, 6332-6345. [pdf<\/a>]\"\"<\/a><\/p>\r\n\r\n\r\n\r\n

100.<\/span><\/strong> Per E. M. Siegbahn*,<\/em> Rong-Zhen Liao*<\/strong>
The Energetics of Hydrogen Molecule Oxidation in NiFe-hydrogenase
ACS Catal. 2020, 10, 5424-5432.[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

99.<\/span><\/strong> Xiongfei Zhang, Ying-Ying Li, Jian Jiang, Rong Zhang, Rong-Zhen Liao*<\/strong>, <\/em>Mei Wang*
A Dinuclear Copper Complex Featuring a Flexible Linker as Water Oxidation Catalyst with an Activity Far Superior to Its Mononuclear Counterpart
Inorg. Chem. 2020, 59, 5424-5432. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

98.<\/span><\/strong> Maofu Pang, Jia-Yi Chen, Shengjie Zhang, Rong-Zhen Liao*<\/strong>, <\/em>Chen-Ho Tung, Wenguang Wang*
Controlled partial transfer hydrogenation of quinolines by cobalt-amido cooperative catalysis\u00a0\u00a0
Nat. Commun. 2020, 11, 1249. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

97.<\/span><\/strong> Shu-Fen Hou, Jia-Yi Chen, Minghui Xue, Mengjing Jia, Xiaofang Zhai, Rong-Zhen Liao*<\/strong>, <\/em>Chen-Ho Tung, Wenguang Wang*
Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles
ACS Catal. 2020, 10, 380-390. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

96.<\/span><\/strong> Hui Pan, Lele Duan, Rong-Zhen Liao*<\/strong>
Capturing the Role of Phosphate in the Ni-PY5 Catalyzed Water Oxidation
ChemCatChem 2020, 12, 219-226. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2019<\/span><\/h2>\r\n\r\n\r\n\r\n

95.<\/span><\/strong> Xiaoyu Zhao, Shanshan Sun, Ye Zhao, Rong-Zhen Liao<\/strong>, Ming-De Li*, <\/em>Yonggui Liao, Haiyan Peng*, Xiaolin Xie
Effect of ketyl radical on the structure and performance of holographic polymer\/liquid-crystal composites
Sci. China Mat. 2019, 62, 1921-1933. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

94.<\/span><\/strong> Xuewen Zhuang, Jia-Yi Chen, Zhuoyi Yang, Mengjing Jia, Chengjuan Wu, Rong-Zhen Liao*<\/strong>, <\/em>Chen-Ho Tong, Wenguang Wang*
Sequential Transformation of Terminal Alkynes to 1,3-Dienes by a Cooperative Cobalt Pyridonate Catalyst<\/p>\r\n

Organometallics 2019, 38, 3752-3759. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

93.<\/span><\/strong> Jia-Yi Chen, Rong-Zhen Liao*<\/strong>
Mechanism and Regioselectivity of the Iron-Catalyzed Hydroboration of N-Heteroarenes: A Computational Study\u00a0
Organometallics 2019, 38, 3267-3277. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

92.<\/span><\/strong> Xun Tong, Yuan Qiu, Xiaoyu Zhao, Bijin Xiong, Rong-Zhen Liao*<\/strong>, <\/em>Haiyan Peng, Yonggui Liao*, Xiaolin Xie
Visible light-triggered gel-to-sol transition in halogen-bond-based supramolecules
Soft Matter, 2019,15, 6411. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

91.<\/strong> <\/span>Per E. M. Siegbahn*, Shi-Lv Chen, Rong-Zhen Liao<\/strong>
Theoretical Studies of Nickel-Dependent Enzymes.
Inorganics 2019, 7, 95. [pdf<\/a>] (Review)<\/p>\r\n\r\n\r\n\r\n

90.<\/span><\/strong> Lei-Min Zhao, Tao, Lei, Rong-Zhen Liao<\/strong>, Hongyan Xiao, Bin Chen, Vaidhyanathan Ramamurthy, Chen-Ho Tung, Li-Zhu Wu*
Visible-Light-Triggered Selective Intermolecular [2+2] Cycloaddition of Extended Enones: 2\u2011Oxo-3-enoates and 2,4-Dien-1-ones with Olefins
J. Org. Chem. 2019, 84, 9257-9269.[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

89.<\/strong> <\/span>Rong-Zhen Liao*<\/strong>,<\/em> Per E. M. Siegbahn*
Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase
Inorg. Chem. 2019, 58, 7931-7938. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

88.<\/span><\/strong> Jianguo Liu, Jia-Yi Chen, Mengjing Jia, Bangrong Ming, Jiong Jia, Rong-Zhen Liao*<\/strong>, <\/em>Chen-Ho Tung, Wenguang Wang*
Ni\u2013O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes
ACS Catal. 2019, 9, 3849-3857. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

87.<\/span><\/strong> 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\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0\u00a0
ACS Appl. Mater. Interfaces 2019, 11, 15698-15708. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

86.<\/span><\/strong> Ying- Jirong Wang, Jianyu Han, Haiyan Peng, Xiangying Tang, Jintao Zhu, Rong-Zhen Liao<\/strong>, Xiaolin Xie, Zhigang Xue,* Christophe Fliedel, Rinaldo Poli*
Bromoalkyl ATRP initiator activation by inorganic salts: experiments and computations
Polym. Chem. 2019, 10, 2347-2496.[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

85.<\/span><\/strong> Ying-Ying Li, Carolina Gimbert, Antoni Llobet, Per E. M. Siegbahn, Rong-Zhen Liao*<\/strong>
Quantum Chemical Study of the Mechanism of Water Oxidation Catalyzed by a Heterotrinuclear Ru2Mn Complex
ChemSusChem 2019, 12, 1101-1110. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

84.<\/strong> <\/span>Wen-Jie Wei, Per E. M. Siegbahn, Rong-Zhen Liao*<\/strong>
Mechanism of the Dinuclear Iron Enzyme p-Aminobenzoate N-oxygenase from Density Functional Calculations
ChemCatChem 2019, 11, 601-613. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2018<\/span><\/h2>\r\n\r\n\r\n\r\n

83.<\/span><\/strong> Chaocao Lu, Bu Htan, Chunmiao Ma, Rong-Zhen Liao<\/strong>, Quan Gan*
Acylhydrazone Switches: E\/Z Stability Reversed by Introduction of Hydrogen Bonds
Eur. J. Org. Chem. 2018, 48, 7046-7050.[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

82.<\/strong><\/span> Wen-Jie Wei, Hui-Xia Qian, Wen-Juan Wang, Rong-Zhen Liao*<\/strong>
Computational understanding of the selectivities in metalloenzymes.
Front. Chem. 2018, 6, 638. [pdf<\/a>] (Review)<\/p>\r\n\r\n\r\n\r\n

81.<\/span><\/strong> Rong-Zhen Liao*<\/strong>, Shigeyuki Masaoka, Per E. M. Siegbahn
Metal oxidation states for the O-O bond formation in the water oxidation catalyzed by a pentanuclear Iron complex
ACS Catal. 2018, 8, 11671-11678. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

80.<\/span><\/strong> Cheng-Yi Zhu, Ya-Qiong Zhang, Rong-Zhen Liao*<\/strong>, <\/em>Wu Xia, Jun-Chao Hu, Jin Wu, Hongfang Liu, Feng Wang*
Photocatalytic reduction of CO2 to CO and formate by a novel Co(II) catalyst containing a cis-oxygen atom: photocatalysis and DFT calculations
Dalton Trans. 2018, 47, 13142-13150. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

79.<\/span><\/strong> Maowei Hu, Junyu Shen, Ze Yu*,<\/em> Rong-Zhen Liao<\/strong>, Gagik G. Gurzadyan, Xichuan Yang, Anders Hagfeldt, Mei Wang*, Licheng Sun
Efficient and Stable Dye-Sensitized Solar Cells Based on a Tetradentate Copper(II\/I) Redox Mediator
ACS Appl. Mater. Interfaces, 2018, 10, 30409-30416.[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

78.<\/span><\/strong> Markus D. K\u00e4rk\u00e4s*, <\/em>Ying-Ying Li, Per E. M. Siegbahn, Rong-Zhen Liao*<\/strong>, Bj\u00f6rn \u00c5kermark*
Metal\u2212Ligand Cooperation in Single-Site Ruthenium Water Oxidation Catalysts: A Combined Experimental and Quantum Chemical Approach
Inorg. Chem., 2018, 57, 10881-10895. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

77.<\/strong> <\/span>Hui-Xia Qian, Rong-Zhen Liao*<\/strong>
QM\/MM Study of Tungsten-Dependent Benzoyl-Coenzyme A Reductase: Rationalization of Regioselectivity and Predication of W vs Mo Selectivity
Inorg. Chem. 2018, 57, 10667-10678. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

76.<\/span><\/strong> Xiao-Jun Su, Chu Zheng, Qin-Qin Hu, Hao-Yi Du, Rong-Zhen Liao*<\/strong>, <\/em>Ming-Tian Zhang*
Bimetallic cooperative effect on O-O bond formation: copper polypyridyl complexes as water oxidation catalyst
Dalton Trans. 2018, 47, 8670-8675. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

75.<\/strong><\/span> Hao Zhang, Ling Yang*, Ying-Ying Ma, Chaoyuan Zhu, Rong-Zhen Liao<\/strong>, Shenghsien Lin
Theoretical Studies on Catalysis Mechanisms of Serum Paraoxonase 1 and Phosphotriesterase Diisopropyl Fluorophosphatase Suggest the Alteration of Substrate Preference from Paraoxonase to DFP.
Molecules 2018, 23, 1660.[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

74.<\/strong> <\/span>Hao Zhang, Ling Yang*, Long-Fei Yan, Rong-Zhen Liao<\/strong>, Wei-Quan Tian
Evolution of phosphotriesterase activities of the metallo-beta-lactamase family: A theoretical study.
J. Inorg. Biochem. 2018, 184, 8-14.\u00a0<\/p>\r\n\r\n\r\n\r\n

73.<\/strong> <\/span>Wen-Juan Wang, Wen-Jie Wei, Rong-Zhen Liao*<\/strong>
Deciphering the chemoselectivity of nickel-dependent quercetin 2,4-dioxygenase
Phys. Chem. Chem. Phys. 2018, 20, 15784-15794. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

72.<\/span><\/strong> Ying-Ying Li, Lian-Peng Tong, Rong-Zhen Liao*<\/strong>
Mechanism of Water Oxidation Catalyzed by a Mononuclear Iron Complex with a Square Polypyridine Ligand: A DFT Study
Inorg. Chem. 2018, 57, 4590-4601. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

71.<\/span><\/strong> Yang Ni, Qile Yu, Qihao Liu, Honghua Zuo, Huai-Bin Yu, Wen-Jie Wei, Rong-Zhen Liao<\/strong>, Fangrui Zhong*
Iron-Catalyzed Regiospecific Intermolecular Radical Cyclization of Anilines: Strategy for Assembly of 2,2-Disubstituted Indolines\u00a0 \u00a0 \u00a0\u00a0
Org. Lett. 2018, 20, 1404-1408.\u00a0<\/p>\r\n\r\n\r\n\r\n

2017<\/span><\/h2>\r\n\r\n\r\n\r\n

70.<\/span> <\/strong>Jisheng Zhang, Wen-Jie Wei Xiaoyan Lu, Hang, Yang, Zhuqi Chen, Rong-Zhen Liao*<\/strong>, <\/em>Guochuan Yin*
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. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

69.<\/span><\/strong> Ya-Qiong Zhang, Rong-Zhen Liao*<\/strong>
Reaction Mechanism of Hydrogen Evolution Catalysed by Co and Fe Complexes Containing a Tetra-dentate Phosphine Ligand \u2013 A DFT Study
Phys. Chem. Chem. Phys. 2017, 19, 32589-32596. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

68.<\/span><\/strong> Heng Song, Ke Ye, Peiyu Geng, Xiao Han, Rong-Zhen Liao*<\/strong>, <\/em>Chen-Ho Tung, Wenguang Wang*
Activation of Epoxides by a Cooperative Iron\u2212Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration\u00a0 \u00a0 \u00a0 \u00a0 \u00a0\u00a0
ACS Catal. 2017, 7, 7709-7717. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

67.<\/span> Rong-Zhen Liao*<\/strong>, Per E. M. Siegbahn*
Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis
ChemSusChem 2017, 10, 4236-4263. [pdf<\/a>] (Review)<\/p>\r\n\r\n\r\n\r\n

66.<\/span><\/strong> Rong-Zhen Liao*<\/strong>, Per E. M. Siegbahn
Possible water association and oxidation mechanisms for a recently synthesized Mn4Ca-complex.
J. Catal. 2017, 354, 169-181. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

65.<\/span><\/strong> Jian-Tao Ge, Ying-Ying Li, Jun Tian, Rong-Zhen Liao<\/strong>, Hai Dong*
Synthesis of Deoxyglycosides by Desulfurization under UV Light
J. Org. Chem. 2017, 82, 7008-7014.\u00a0<\/p>\r\n\r\n\r\n\r\n

64.<\/span><\/strong> Wen-Jie Wei, Per E. M. Siegbahn, Rong-Zhen Liao*<\/strong>
Theoretical Study of the Mechanism of the Nonheme Iron Enzyme EgtB
Inorg. Chem. 2017, 56, 3589-3599. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

63.<\/span><\/strong> Ying-Ying Li, Ke Ye, Per E. M. Siegbahn, Rong-Zhen Liao*<\/strong>
Mechanism of Water Oxidation Catalysed by a Mononuclear Manganese Complex [Py2N(tBu)2Mn(H2O)2]2+
ChemSusChem 2017, 10, 903-911. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2016<\/span><\/h2>\r\n\r\n\r\n\r\n

62.<\/span> <\/strong>Ahmed F. Abdel-Magied, Andrey Shatskiy, Rong-Zhen Liao<\/strong>, Tanja M. Laine, Wael A. A. Arafa, Per E. M. Siegbahn, Markus D. Karkas*, Bjorn Akermark*, Eric V. Johnston*
Chemical and Photochemical Water Oxidation Mediated by an Efficient Single-Site Ruthenium Catalyst
ChemSusChem 2016, 9, 3448-3456.<\/p>\r\n\r\n\r\n\r\n

61.<\/span><\/strong> Biswanath Das, Bao-Lin Lee, Erik A. Karlsson, Torbjorn Akermark, Andrey Shatskiy, Serhiy Demeshko, Rong-Zhen Liao<\/strong>, Tanja M. Laine, Matti Haukka, Erica Zeglio, Ahmed F. Abdel-Magied, Per E. M. Siegbahn, Franc Meyer, Markus D. Karkas*, <\/em>Eric V. Johnston*, Ebbe Nordlander, Bjorn Akermark*
Water oxidation catalyzed by molecular di- and nonanuclear Fe complexes: importance of a proper ligand framework
Dalton Trans. 2016, 45, 13289-13293.\u00a0<\/p>\r\n\r\n\r\n\r\n

60.<\/span><\/strong> Ke Ye, Ying-Ying Li, Rong-Zhen Liao*<\/strong>
DFT study of the mechanism of hydrogen evolution catalysed by molecular Ni, Co and Fe catalysts containing a diamine-tripyridine ligand\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0
RSC Adv. 2016, 6, 90035-90045. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

59.<\/span><\/strong> Yuejie Ai*, <\/em>Shuhua Xia, Rong-Zhen Liao<\/strong>
Theoretical Studies on the Photochemistry of Pentose Aminooxazoline, a Hypothetical Intermediate Product in the Prebiotic Synthetic Scenario of RNA Nucleotides
J. Phys. Chem. B 2016, 120, 9329-9337.\u00a0<\/p>\r\n\r\n\r\n\r\n

58.<\/strong> <\/span>Rong-Zhen Liao*<\/strong>, Shi-Lu Chen, Per E. M. Siegbahn
Unraveling the Mechanism and Regioselectivity of the B12-dependent Reductive Dehalogenase PceA
Chem. Eur. J. 2016, 22, 12391-12399. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

57.<\/span><\/strong> Ahmed M Senan, Shuhao Qin, Sicheng Zhang, Chenling Lou, Zhuqi Chen, Rong-Zhen Liao*<\/strong>, <\/em>Guochuan Yin*
Non-redox metal ions accelerated olefin isomerization by Palladium(II) catalysts: DFT calculations supporting the experimental data<\/p>\r\n

\u00a0ACS Catal. 2016, 6, 4144-4148. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

56.<\/strong><\/span> Chao Xu, Ling Yang*,<\/em> Jian-Guo Yu, Rong-Zhen Liao*<\/strong>
What roles do the residue Asp229 and the coordination variation of calcium play of the reaction mechanism of the diisopropyl-fluorophosphatase? A DFT investigation
Theor. Chem. Acc. 2016, 135, 138.\u00a0<\/p>\r\n\r\n\r\n\r\n

55.<\/span><\/strong> Sicheng Zhang, Zhuqi Chen, Shuhao Qin, Chenlin Lou, Ahmed M. Senan, Rong-Zhen Liao*<\/strong>, <\/em>Guochuan Yin*
Non-redox Metal Ions Promoted Oxidative Coupling of Indoles with Olefins by Palladium(II) Acetate Catalyst Through Dioxygen Activation: Experimental Results with DFT Calculations
Org. Biomol. Chem. 2016, 14, 4146-4157. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

54.<\/span><\/strong> Rong-Zhen Liao*<\/strong>, <\/em>Markus D. K\u00e4rk\u00e4s, Tanja M. Laine, Bj\u00f6rn \u00c5kermark, Per E. M. Siegbahn*
On the Mechanism of Water Oxidation Catalyzed by a Dinuclear Ruthenium Complex: A Quantum Chemical Study
Catal. Sci. Technol. 2016, 6, 5031-5041. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

53.<\/span> <\/strong>Markus D. K\u00e4rk\u00e4s*, Rong-Zhen Liao*<\/strong>, Tanja M. Laine, Torbj\u00f6rn \u00c5kermark, Shams R. Karim, Per E. M. Siegbahn, Bj\u00f6rn \u00c5kermark*
Molecular Ruthenium Water Oxidation Catalysts Carrying Non-innocent Ligands: Mechanistic Insight through Structure\u2013activity Relationships and Quantum Chemical Calculations\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0\u00a0
Catal. Sci. Technol. 2016, 6, 1306-1319. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

52.<\/span> Rong-Zhen Liao*<\/strong>, <\/em>Stefano Santoro*, Martin Gotsev, Tommaso Marcelli, Fahmi Himo*
Origins of Stereoselectivity in Peptide-Catalyzed Kinetic Resolution of Alcohols
ACS Catal. 2016, 6, 1165-1171. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2015<\/span><\/h2>\r\n\r\n\r\n\r\n

51.<\/strong><\/span> Rong-Zhen Liao*<\/strong>, Per E. M. Siegbahn
Phosphate Hydrolysis by the Fe2\u2212Ca3-Dependent Alkaline Phosphatase PhoX: Mechanistic Insights from DFT calculations
Inorg. Chem. 2015, 54, 11941-11947. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

50. <\/span>Rong-Zhen Liao*<\/strong>, Shi-Lu Chen, Per E. M. Siegbahn
Which Oxidation State Initiates Dehalogenation in the B12-dependent Enzyme NpRdhA, CoII, CoI, or Co0?
ACS Catal. 2015, 5, 7350-7358. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

49.<\/span><\/strong> Rong-Zhen Liao*<\/strong>,<\/em> Per E. M. Siegbahn*
Mechanism of O-O Bond Formation in a Biomimetic Tetranuclear Manganese Cluster \u2013 A Density Functional Theory Study
J. Photochem. Photobiol. B 2015, 152,162-172. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

48.<\/span><\/strong> Tanja M. Laine, Markus D. K\u00e4rk\u00e4s*, <\/em>Rong-Zhen Liao*<\/strong>, Per E. M. Siegbahn, Bj\u00f6rn \u00c5kermark*
A Dinuclear Ruthenium-Based Water Oxidation Catalyst: use of Non-Innocent Ligand frameworks for Promoting Multi-Electron Reactions
Chem. Eur. J. 2015, 21, 10039-10048. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

47.<\/span><\/strong> Wangchuk Rabten, Markus D. K\u00e4rk\u00e4s*, <\/em>Torbj\u00f6rn \u00c5kermark, Hong Chen, Rong-Zhen Liao<\/strong>, Fredrik Tinnis, Junliang Sun, Per E. M. Siegbahn, Pher G. Andersson*, Bj\u00f6rn \u00c5kermark*
Catalytic Water Oxidation by a Molecular Ruthenium Complex: Unexpected Generation of a Single-Site Water Oxidation Catalyst
Inorg. Chem. 2015, 54, 4611-4620.\u00a0<\/p>\r\n\r\n\r\n\r\n

46.<\/span><\/strong> Xiao-Jun Su, Meng Gao, Lei Jiao, Rong-Zhen Liao*<\/strong>,<\/em> 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. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

45.<\/span><\/strong> Stefano Santoro, Rong-Zhen Liao<\/strong>, Tommaso Marcelli, Peter Hammar, Fahmi Himo*
Theoretical Study of Mechanism and Stereoselectivity of Catalytic Kinugasa Reaction
J.Org. Chem. 2015, 80, 2649-2660.\u00a0<\/p>\r\n\r\n\r\n\r\n

44.<\/span><\/strong> Rong-Zhen Liao*<\/strong>, <\/em>Markus D. K\u00e4rk\u00e4s, Bao-Lin Lee, Bj\u00f6rn \u00c5kermark, Per E. M. Siegbahn*
Photosystem II Like Water Oxidation Mechanism in a Bioinspired Tetranuclear Manganese Complex
Inorg. Chem. 2015, 54, 342-351. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

43.<\/span><\/strong> Rong-Zhen Liao*<\/strong>, Mei Wang, Licheng Sun, Per E. M. Siegbahn*
The Mechanism of Hydrogen Evolution in Cu(bztpen)-Catalyzed Water Reduction: A DFT Study
Dalton Trans. 2015, 44, 9736-9739. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

42.<\/strong> <\/span>Rong-Zhen Liao*<\/strong>,<\/em> Per E. M. Siegbahn*
Mechanism and Selectivity of the Dinuclear Iron Benzoyl-Coenzyme A Epoxidase BoxB
Chem. Sci. 2015, 6, 2754-2764. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

41.<\/span><\/strong> Genping Huang, Marcin Kalek, Rong-Zhen Liao<\/strong>, Fahmi Himo*
Mechanism, Reactivity, and Selectivity of Iridium-Catalyzed C(sp3)-H Borylation
Chem. Sci. 2015, 6, 1735-1746.\u00a0<\/p>\r\n\r\n\r\n\r\n

40.<\/span><\/strong> Tanja M. Laine, Markus D. K\u00e4rk\u00e4s*, <\/em>Rong-Zhen Liao*<\/strong>, Torbj\u00f6rn \u00c5kermark, Bao-Lin Lee, Erik A. Karlsson, Per E. M. Siegbahn, Bj\u00f6rn \u00c5kermark*
Efficient photochemical water oxidation by a dinuclear molecular ruthenium complex
Chem. Comm. 2015, 51, 1862-1865. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2014<\/span><\/h2>\r\n\r\n\r\n\r\n

39.<\/span><\/strong> Rong-Zhen Liao*<\/strong>, <\/em>Per E. M. Siegbahn*
Which oxidation state leads to O-O bond formation in Cp*Ir(bpy)Cl catalyzed water oxidation, Ir(V), Ir(VI), or Ir(VII)?\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0\u00a0
ACS Catal. 2014, 4, 3937-3949. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

38.<\/span><\/strong> Shi-Lu Chen*,<\/em> Rong-Zhen Liao*<\/strong>
Phosphate Monoester Hydrolysis by Trinuclear Alkaline Phosphatase; DFT Study of Transition States and Reaction Mechanism\u00a0 \u00a0 \u00a0 \u00a0 \u00a0
ChemPhysChem 2014, 15, 2321-2330. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

37.<\/span><\/strong> Erik A. Karlsson, Bao-Lin Lee, Rong-Zhen Liao<\/strong>, Torbj\u00f6rn \u00c5kermark, Markus D. K\u00e4rk\u00e4s, Valeria Saavedra Becerril, Per E. M. Siegbahn, Xiaodong Zou, Maria Abrahamsson*, Bj\u00f6rn \u00c5kermark*
Synthesis and electron transfer processes in a new family of coupled Mn2-Ru complexes
ChemPlusChem 2014, 79, 936-950.\u00a0<\/p>\r\n\r\n\r\n\r\n

36.<\/strong><\/span> 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. [pdf<\/a>] (Review)<\/p>\r\n\r\n\r\n\r\n

35.<\/span> Rong-Zhen Liao*<\/strong>, Xi-Chen Li, Per E. M. Siegbahn
Reaction Mechanism of Water Oxidation Catalyzed by Iron-TAML Complex, A DFT Study
Eur. J. Inorg. Chem. 2014, 728-741. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

34.<\/span><\/strong> Wael A. A. Arafa, Markus D. K\u00e4rk\u00e4s, Bao-Lin Lee, Torbj\u00f6rn \u00c5kermark, Rong-Zhen Liao<\/strong>, Hans-Martin Berends, Johannes Messinger, Per E. M. Siegbahn, Bj\u00f6rn \u00c5kermark*
Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity
Phys. Chem. Chem. Phys. 2014, 16, 11950-11964.\u00a0<\/p>\r\n\r\n\r\n\r\n

2013<\/h2>\r\n\r\n\r\n\r\n

33.<\/strong><\/span> 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. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

32.<\/strong><\/span> Rong-Zhen Liao<\/strong>, Walter Thiel*
On the Effect of Varying Constraints in the QM-Only Modeling of Enzymatic Reactions: the Case of Acetylene Hydratase
J. Phys. Chem. B 2013, 117, 3954-3961. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

31.<\/span> Rong-Zhen Liao<\/strong>, Walter Thiel*
Determinants of Regioselectivity and Chemoselectivity in Fosfomycin Resistance Protein FosA from QM\/MM Calculations\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0\u00a0
J. Phys. Chem. B 2013, 117, 1326-1336. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

30.<\/strong><\/span> Rong-Zhen Liao*<\/strong>
Why is the Molybdenum-substituted Tungsten-dependent Formaldehyde Ferredoxin Oxidoreductase not Active? A Quantum Chemical Study
J. Biol. Inorg. Chem. 2013, 18, 175-181. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2012<\/h2>\r\n\r\n\r\n\r\n

29.<\/span> 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. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

28.<\/strong> <\/span>Ling Yang, Rong-Zhen Liao*<\/strong>, <\/em>Wan-Jian Ding, Jian-Guo Yu*, Kai Liu, Ruo-Zhuang Liu
Why Calcium Inhibits Magnesium-dependent Enzyme Phosphoserine Phosphatase? A Theoretical Study
Theor. Chem. Acc. 2012, 131, 1275. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

27.<\/strong> <\/span>Rong-Zhen Liao<\/strong>, Walter Thiel*
Why is the Oxidation State of Iron Crucial for the Activity of Heme-dependent Aldoxime Dehydratase? A QM\/MM Study
J. Phys. Chem. B 2012, 116, 9396-9408. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

26.<\/span><\/strong> Mikael Nordin, Rong-Zhen Liao<\/strong>, Katrin Ahlford, Hans Adolfsson*, Fahmi Himo*
Theoretical Study of Asymmetric Transfer Hydrogenation of Ketones Catalyzed by Amino Acid-Derived Rhodium Complexes
ChemCatChem 2012, 4, 1095-1104. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

25.<\/span><\/strong> Yue-Jie Ai, Rong-Zhen Liao<\/strong>, Wei-Hai Fang*, Yi Luo*
Theoretical Studies on Isomerization Mechanism of the ortho-Green Fluorescent Protein Chromophore\u00a0
Phys. Chem. Chem. Phys. 2012, 14, 13409-13414.\u00a0<\/p>\r\n\r\n\r\n\r\n

2011<\/h2>\r\n\r\n\r\n\r\n

24.<\/span><\/strong> Yue-Jie Ai, Guan-Jun Tian, Rong-Zhen Liao<\/strong>, Qiong Zhang, Wei-Hai Fang*, Yi Luo*
Intrinsic Property of Flavin Mononucleotide Controls its Optical Spectra in Three Redox States\u00a0\u00a0
ChemPhysChem 2011, 12, 2899-2902.\u00a0<\/p>\r\n\r\n\r\n\r\n

23.<\/span><\/strong> Stefano Santoro, Rong-Zhen Liao<\/strong>, Fahmi Himo*
Theoretical Study of Mechanism and Selectivity of Copper-Catalyzed C-H Bond Amidation of Indoles
J. Org. Chem. 2011, 76, 9246-9252.\u00a0<\/p>\r\n\r\n\r\n\r\n

22.<\/span><\/strong> Yue-Jie Ai, Rong-Zhen Liao<\/strong>, Shi-Lu Chen, Wei-Jie Hua, Wei-Hai Fang*, Yi Luo*
Repair of DNA Dewar Photoproduct to (6-4) Photoproduct in (6-4) Photolyase
J. Phys. Chem. B. 2011, 115, 10976-10982.\u00a0<\/p>\r\n\r\n\r\n\r\n

21.<\/strong> <\/span>Rong-Zhen Liao<\/strong>, Fahmi Himo*
Theoretical Study of the Chemoselectivity of Tungsten-Dependent Acetylene Hydratase
ACS Catal. 2011, 1, 937-944. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

20.<\/span><\/strong> Ehsan Jalilian*, Rong-Zhen Liao<\/strong>, Fahmi Himo, Sven Lidin
Luminescence Properties of monoclinic Cu4I4(Piperidine)4
Mat. Res. Bull. 2011, 46, 1192-1196.\u00a0<\/p>\r\n\r\n\r\n\r\n

19.<\/strong><\/span> Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*
Tungsten-dependent Formaldehyde Ferredoxin Oxidoreductase: Reaction Mechanism from Quantum Chemical Calculations
J. Inorg. Biochem. 2011, 105, 927-936. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

18.<\/span> <\/strong>Yan-Fang Liu, Rong-Zhen Liao<\/strong>, Wan-Jian Ding, Jian-Guo Yu*, Ruo-Zhuang Liu
Theoretical Investigation of the First-shell Mechanism of Acetylene Hydration Catalyzed by a Biomimetic Tungsten Complex
J. Biol. Inorg. Chem. 2011, 16, 745-752.\u00a0<\/p>\r\n\r\n\r\n\r\n

17.<\/strong><\/span> Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*
Quantum Chemical Modeling of Enzymatic Reactions: The Case of Decarboxylation
J. Chem. Theory Comput. 2011, 7, 1494-1501. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

16.<\/strong> <\/span>Rong-Zhen Liao<\/strong>, Polina Georgieva, Jian-Guo Yu, Fahmi Himo*
Mechanism of Mycolic Acid Cyclopropane Synthase: A Theoretical Study
Biochemistry 2011, 50, 1505-1513. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

15.<\/span><\/strong> Ehsan Jalilian*, Rong-Zhen Liao<\/strong>, Fahmi Himo, Hjalmar Brismar, Fredrik Laurell, Sven Lidin
Luminescence Properties of the Cu4I62- Cluster\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0
CrystEngComm 2011, 13, 4729-4734.\u00a0<\/p>\r\n\r\n\r\n\r\n

2010<\/h2>\r\n\r\n\r\n\r\n

14.<\/strong><\/span> 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. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

13.<\/span><\/strong> Yue-Jie Ai, Rong-Zhen Liao<\/strong>, Shu-Feng Chen, Yi Luo*, Wei-Hai Fang*
Theoretical Studies on Photoisomerizations of (6-4) and Dewar Photolesions in DNA
J. Phys. Chem. B. 2010, 114, 14096-14102.\u00a0<\/p>\r\n\r\n\r\n\r\n

12.<\/span> Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*
Phosphate Mono- and Diesterase Activities of the Trinuclear Zinc Enzyme Nuclease P1 \u2013 Insights from Quantum Chemical Calculations\u00a0
Inorg. Chem. 2010, 49, 6883-6888. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

11.<\/span><\/strong> Na Qi, Rong-Zhen Liao<\/strong>, Jian-Guo Yu*, Ruo-Zhuang Liu
DFT study of the Asymmetric Nitroaldol (Henry) Reaction Catalyzed by a Dinuclear Zn Complex
J. Comput. Chem. 2010, 31, 1376-1384.\u00a0<\/p>\r\n\r\n\r\n\r\n

10.<\/strong><\/span> Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*
Reaction Mechanism of the Trinuclear Zinc Enzyme Phospholipase C: A Density Functional Theory Study
J. Phys. Chem. B 2010, 114, 2533-2540. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

9.<\/strong><\/span> Rong-Zhen Liao<\/strong>, Fahmi Himo*, Jian-Guo Yu*, Ruo-Zhuang Liu
Dipeptide Hydrolysis by the Dinuclear Zinc Enzyme Human Renal Dipeptidase: Mechanistic Insights from DFT Calculations
J. Inorg. Biochem. 2010, 104, 37-46. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

8.<\/span><\/strong> Xi-Chen Li, Rong-Zhen Liao<\/strong>, Wen-Chang Zhou, Guang-Ju Chen*
DFT Studies of the Degradation Mechanism of the Methyl-Mercury Activated by a Sulfur-rich Ligand
Phys. Chem. Chem. Phys. 2010, 12, 3961-3971.\u00a0<\/p>\r\n\r\n\r\n\r\n

2009<\/h2>\r\n\r\n\r\n\r\n

7.<\/strong><\/span> Rong-Zhen Liao<\/strong>, Fahmi Himo*, Jian-Guo Yu*, Ruo-Zhuang Liu
Theoretical Study of the RNA Hydrolysis Mechanism of the Dinuclear Zinc Enzyme RNase Z
Eur. J. Inorg. Chem. 2009, 2967-2972. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

6.<\/strong><\/span> Ling Yang, Rong-Zhen Liao<\/strong>, Jian-Guo Yu*, Ruo-Zhuang Liu
DFT Study on the Mechanism of Escherichia coli Inorganic Pyrophosphatase
J. Phys. Chem. B 2009, 113, 6505-6510.\u00a0<\/p>\r\n\r\n\r\n\r\n

5.<\/span> Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Fahmi Himo*
Reaction Mechanism of the Dinuclear Zinc Enzyme N-Acyl-L-homoserine Lactone Hydrolase: A Quantum Chemical Study
Inorg. Chem. 2009, 48, 1442-1448. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2008<\/h2>\r\n\r\n\r\n\r\n

4.<\/strong> <\/span>Rong-Zhen Liao<\/strong>, Wan-Jian Ding, Jian-Guo Yu*, Wei-Hai Fang, Ruo-Zhuang Liu
Theoretical Studies on Pyridoxal 5′-Phosphate-Dependent Transamination of \u03b1-Amino Acids
J. Comput. Chem. 2008, 29, 1919-1929. [pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

3.<\/strong><\/span> Rong-Zhen Liao<\/strong>, Jian-Guo Yu, Frank M Raushel*, Fahmi Himo*
Theoretical Investigation of the Reaction Mechanism of the Dinuclear Zinc Enzyme Dihydroorotase
Chem. Eur. J. 2008, 14, 4287-4292.\u00a0[pdf<\/a>]<\/p>\r\n\r\n\r\n\r\n

2007<\/h2>\r\n\r\n\r\n\r\n

2.<\/span> <\/strong>Jia-Qi Li, Rong-Zhen Liao<\/strong>, Wan-Jian Ding, Ying Cheng*
Highly Efficient and Site-Selective [3+2] Cycloaddition of Carbene-Derived Ambident Dipoles with Ketenes for a Straightforward Synthesis of Spiro-pyrrolidones
J. Org. Chem. 2007, 72, 6266-6269.\u00a0<\/p>\r\n\r\n\r\n\r\n

1.<\/strong> <\/span>Rong-Zhen Liao<\/strong>, Wan-Jian Ding, Jian-Guo Yu*, Wei-Hai Fang, Ruo-Zhuang Liu*
Water-Assisted Transamination of Glycine and Formaldehyde
J. Phys. Chem. A 2007, 111, 3184-3190. [pdf<\/a>]<\/p>\r\n","protected":false},"excerpt":{"rendered":"

2026 194. Huatian Xiong, Jia-Yi Chen*, Jing Yang, Jun L … <\/p>\n

\u7ee7\u7eed\u9605\u8bfb\u201cPublications\u201d<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/9"}],"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=9"}],"version-history":[{"count":261,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/9\/revisions"}],"predecessor-version":[{"id":908,"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/pages\/9\/revisions\/908"}],"wp:attachment":[{"href":"http:\/\/rongzhenliao.com\/index.php\/wp-json\/wp\/v2\/media?parent=9"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}