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Journal of the American Chemical Society|September 26, 2002
What factors affect the regioselectivity of oxidation by cytochrome p450? A DFT study of allylic hydroxylation and double bond epoxidation in a model reactionSam P de Visser, François Ogliaro, Pankaz K Sharma, et al.Journal of the American Chemical Society|March 25, 2004
Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanismJan C Schöneboom, Shimrit Cohen, Hai Lin, et al.Angewandte Chemie (International Ed. in English)|May 2, 2018
Chameleon States: High-Valent Metal-Oxo Species of Cytochrome P450 and Its Ruthenium AnalogueFrançois Ogliaro, Samüel P de Visser, John T Groves, et al.Journal of the American Chemical Society|March 2, 2006
Barriers of hydrogen abstraction vs halogen exchange: an experimental manifestation of charge-shift bondingPhilippe C Hiberty, Claire Megret, Lingchun Song, et al.Journal of the American Chemical Society|March 23, 2006
The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM studyAhmet Altun, Victor Guallar, Richard A Friesner, et al.Journal of the American Chemical Society|October 14, 2004
Valence bond calculations of hydrogen transfer reactions: a general predictive pattern derived from theoryPeifeng Su, Lingchun Song, Wei Wu, et al.The Journal of Physical Chemistry Letters|October 7, 2021
Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response MethodologyVladimir Pomogaev, Seunghoon Lee, Sason Shaik, et al.Journal of the American Chemical Society|January 5, 2017
Electrostatic and Charge-Induced Methane Activation by a Concerted Double C-H Bond InsertionCaiyun Geng, Jilai Li, Thomas Weiske, et al.Current Opinion in Chemical Biology|November 5, 2002
Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theorySason Shaik, Samuël P de Visser, François Ogliaro, et al.Journal of the American Chemical Society|July 9, 2004
A predictive pattern of computed barriers for C-h hydroxylation by compound I of cytochrome p450Sam P de Visser, Devesh Kumar, Shimrit Cohen, et al.Pageof 30