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Chemistry (Weinheim an Der Bergstrasse, Germany)|March 19, 2023
A Playground for Heavy Atom Tunnelling: Neutral Substitutional Defect Rearrangement from Diamondoids to DiamondsItzhak Sedgi, Sebastian KozuchAccounts of Chemical Research|June 10, 2010
The valence bond way: reactivity patterns of cytochrome P450 enzymes and synthetic analogsSason Shaik, Wenzhen Lai, Hui Chen, et al.Journal of the American Chemical Society|October 23, 2003
How does product isotope effect prove the operation of a two-state "rebound" mechanism in C-H hydroxylation by cytochrome P450?Devesh Kumar, Samuël P de Visser, Sason ShaikJournal of Computational Chemistry|January 22, 2004
A practical valence bond method: a configuration interaction method approach with perturbation theoretic facilityLingchun Song, Wei Wu, Qianer Zhang, et al.Journal of Inorganic Biochemistry|June 29, 2004
How do aldehyde side products occur during alkene epoxidation by cytochrome P450? Theory reveals a state-specific multi-state scenario where the high-spin component leads to all side productsSam P de Visser, Devesh Kumar, Sason ShaikMolecules (Basel, Switzerland)|January 21, 2022
On the Nature of the Bonding in Coinage Metal HalidesSlađana Đorđević, Slavko Radenković, Sason Shaik, et al.Journal of the American Chemical Society|April 22, 2004
Oxygen economy of cytochrome P450: what is the origin of the mixed functionality as a dehydrogenase-oxidase enzyme compared with its normal function?Devesh Kumar, Samuël P De Visser, Sason ShaikJournal of the American Chemical Society|June 2, 2005
Theory favors a stepwise mechanism of porphyrin degradation by a ferric hydroperoxide model of the active species of heme oxygenaseDevesh Kumar, Samuël P de Visser, Sason ShaikJournal of the American Chemical Society|January 13, 2006
Kinetic isotope effect is a sensitive probe of spin state reactivity in C-H hydroxylation of N,N-dimethylaniline by cytochrome P450Chunsen Li, Wei Wu, Devesh Kumar, et al.Accounts of Chemical Research|December 6, 2012
A theory for bioinorganic chemical reactivity of oxometal complexes and analogous oxidants: the exchange and orbital-selection rulesDandamudi Usharani, Deepa Janardanan, Chunsen Li, et al.Pageof 34