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Chemical Science|September 29, 2023
A porphyrin-based molecular cage guided by designed local-electric field is highly selective and efficientShakir Ali Siddiqui, Sason Shaik, Surajit Kalita, et al.Angewandte Chemie (International Ed. in English)|December 22, 2022
Mechanistic Insight into Peptidyl-Cysteine Oxidation by the Copper-Dependent Formylglycine-Generating EnzymeYao Wu, Cong Zhao, Yanzhuang Su, et al.Journal of Chemical Theory and Computation|November 28, 2015
Multiple Low-Lying States for Compound I of P450cam and Chloroperoxidase Revealed from Multireference Ab Initio QM/MM CalculationsHui Chen, Jinshuai Song, Wenzhen Lai, et al.Journal of Chemical Theory and Computation|November 24, 2015
DFVB: A Density-Functional-Based Valence Bond MethodFuming Ying, Peifeng Su, Zhenhua Chen, et al.Accounts of Chemical Research|August 4, 2022
How Do Metalloproteins Tame the Fenton Reaction and Utilize •OH Radicals in Constructive Manners?Binju Wang, Xuan Zhang, Wenhan Fang, et al.Angewandte Chemie (International Ed. in English)|December 17, 2008
The inverted bond in [1.1.1]propellane is a charge-shift bondWei Wu, Junjing Gu, Jinshuai Song, et al.Journal of Chemical Theory and Computation|November 20, 2015
The Fe(III)(H2O2) Complex as a Highly Efficient Oxidant in Sulfoxidation Reactions: Revival of an Underrated Oxidant in Cytochrome P450Binju Wang, Chunsen Li, Kyung-Bin Cho, et al.Journal of the American Chemical Society|October 2, 2003
Electrophilic aromatic chlorination and haloperoxidation of chloride catalyzed by polyfluorinated alcohols: a new manifestation of template catalysisRevital Ben-Daniel, Samuël P de Visser, Sason Shaik, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 7, 2007
The Menshutkin reaction in the gas phase and in aqueous solution: a valence bond studyPeifeng Su, Fuming Ying, Wei Wu, et al.Journal of the American Chemical Society|December 15, 2005
The high-valent iron-oxo species of polyoxometalate, if it can be made, will be a highly potent catalyst for C-H hydroxylation and double-bond epoxidationDevesh Kumar, Etienne Derat, Alexander M Khenkin, et al.Pageof 30