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Biochemistry|June 1, 2005
Sulfoxidation mechanisms catalyzed by cytochrome P450 and horseradish peroxidase models: spin selection induced by the ligandDevesh Kumar, Sam P de Visser, Pankaz K Sharma, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 14, 2009
An excursion from normal to inverted C-C bonds shows a clear demarcation between covalent and charge-shift C-C bondsSason Shaik, Zhenhua Chen, Wei Wu, et al.Angewandte Chemie (International Ed. in English)|May 14, 2019
Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization ExperimentsDonald G Truhlar, Philippe C Hiberty, Sason Shaik, et al.Journal of Chemical Theory and Computation|July 17, 2023
Right Answer for the Right Reason? Benchmarking Protocols and Pitfalls on a Ru-Metathesis ExampleNaziha Tarannam, Nebal Alassad, N Gabriel Lemcoff, et al.The Journal of Physical Chemistry. A|December 17, 2013
Conformational equilibria in butane-1,4-diol: a benchmark of a prototypical system with strong intramolecular H-bondsSebastian Kozuch, Steven M Bachrach, Jan M L MartinJournal of the American Chemical Society|October 25, 2022
How Do Preorganized Electric Fields Function in Catalytic Cycles? The Case of the Enzyme Tyrosine HydroxylaseWei Peng, Shengheng Yan, Xuan Zhang, et al.Angewandte Chemie (International Ed. in English)|May 26, 2017
Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of MethaneLei Yue, Jilai Li, Shaodong Zhou, et al.Nature Chemistry|February 23, 2012
Quadruple bonding in C2 and analogous eight-valence electron speciesSason Shaik, David Danovich, Wei Wu, et al.Journal of the American Chemical Society|February 25, 2016
Two-State Reactivity in Low-Valent Iron-Mediated C-H Activation and the Implications for Other First-Row Transition MetalsYihua Sun, Hao Tang, Kejuan Chen, et al.Journal of the American Chemical Society|March 20, 2019
Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?Junjing Gu, Wei Wu, Thijs Stuyver, et al.Pageof 34