Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase von Liao, Rong-Zhen, Thiel, Walter

Volltext

Ligand‐assisted Hydride Transfer: A Pivotal Step for CO2 Hydroboration Catalyzed by a Mononuclear Mn(I) PNP Complex von Wan, Xiang, Li, Man, Liao, Rong‐Zhen

Volltext

Water Oxidation Catalyzed by a Bioinspired Tetranuclear Manganese Complex: Mechanistic Study and Prediction von Li, Man, Liao, Rong‐Zhen

Volltext

Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution von Su, Xiao-Jun, Gao, Meng, Jiao, Lei, Liao, Rong-Zhen, Siegbahn, Per E. M., Cheng, Jin-Pei, Zhang, Ming-Tian

Volltext

Exploring the Cooperation of the Redox Non‐Innocent Ligand and Di‐Cobalt Center for the Water Oxidation Reaction Catalyzed by a Binuclear Complex von Li, Ying‐Ying, Liao, Rong‐Zhen

Volltext

Controlled partial transfer hydrogenation of quinolines by cobalt-amido cooperative catalysis von Pang, Maofu, Chen, Jia-Yi, Zhang, Shengjie, Liao, Rong-Zhen, Tung, Chen-Ho, Wang, Wenguang

Volltext

Quantum Chemical Studies of Mechanisms for Metalloenzymes von Blomberg, Margareta R. A, Borowski, Tomasz, Himo, Fahmi, Liao, Rong-Zhen, Siegbahn, Per E. M

Volltext

Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis von Liao, Rong‐Zhen, Siegbahn, Per E. M.

Volltext

Iron‐Catalyzed Water Oxidation: O–O Bond Formation via Intramolecular Oxo–Oxo Interaction von Zhang, Hong‐Tao, Su, Xiao‐Jun, Xie, Fei, Liao, Rong‐Zhen, Zhang, Ming‐Tian

Volltext

Sequential C−H Methylation Catalyzed by the B12‐Dependent SAM Enzyme TokK: Comprehensive Theoretical Study of Selectivities von Deng, Wen‐Hao, Liao, Rong‐Zhen

Volltext

Site‐Selective N‐1 and C‐3 Heteroarylation of Indole with Heteroarylnitriles by Organocatalysis under Visible Light von Zhou, Chao, Gan, Qi‐Chao, Zhou, Tai‐Ping, Lei, Tao, Ye, Chen, He, Xiao‐Jun, Chen, Bin, Lu, Heng, Wan, Qian, Liao, Rong‐Zhen, Tung, Chen‐Ho, Wu, Li‐Zhu

Volltext

Mechanistic Insights into the electron‐transfer driven substrate activation by [4Fe‐4S]‐dependent Enzymes von Wei, Wen‐Jie, Liao, Rong‐Zhen

Volltext

Capturing the Role of Phosphate in the Ni‐PY5 Catalyzed Water Oxidation von Pan, Hui, Duan, Lele, Liao, Rong‐Zhen

Volltext

Mechanistic Insights into the Synergistic Effect of Palladium(0) and Copper(I) on the Selective Transformation of Isocyanate to Indole von Ding, Cai‐Yun, Li, Man, Liao, Rong‐Zhen

Volltext

Mechanistic Insights Into Iron(II) Bis(pyridyl)amine‐Bipyridine Skeleton for Selective CO2 Photoreduction von Wang, Xu‐Zhe, Meng, Shu‐Lin, Chen, Jia‐Yi, Wang, Hai‐Xu, Wang, Yang, Zhou, Shuai, Li, Xu‐Bing, Liao, Rong‐Zhen, Tung, Chen‐Ho, Wu, Li‐Zhu

Volltext

Ring-closing C–O/C–O metathesis of ethers with primary aliphatic alcohols von Liu, Hongmei, Huang, Qing, Liao, Rong-zhen, Li, Man, Xie, Youwei

Volltext

QM/MM Study of the Mechanism of the Noncanonical S-Cγ Bond Scission in S-Adenosylmethionine Catalyzed by the CmnDph2 Radical Enzyme von Zhou, Shuang, Wei, Wen-Jie, Liao, Rong-Zhen

Volltext

Catalytic Atroposelective Electrophilic Amination of Indoles von Qin, Jingyang, Zhou, Tong, Zhou, Tai‐Ping, Tang, Langyu, Zuo, Honghua, Yu, Huaibin, Wu, Guojiao, Wu, Yuzhou, Liao, Rong‐Zhen, Zhong, Fangrui

Volltext

Expanding the Promiscuity of a Copper‐Dependent Oxidase for Enantioselective Cross‐Coupling of Indoles von Guo, Huan, Sun, Ningning, Guo, Juan, Zhou, Tai‐Ping, Tang, Langyu, Zhang, Wentao, Deng, Yaming, Liao, Rong‐Zhen, Wu, Yuzhou, Wu, Guojiao, Zhong, Fangrui

Volltext

A Parent Iron Amido Complex in Catalysis of Ammonia Oxidation von Li, Yongxian, Chen, Jia-Yi, Miao, Qiyi, Yu, Xin, Feng, Lei, Liao, Rong-Zhen, Ye, Shengfa, Tung, Chen-Ho, Wang, Wenguang

Volltext