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Chemical Science|June 24, 2021
Modulating the radical reactivity of phenyl radicals with the help of distonic charges: it is all about electrostatic catalysisTotan Mondal, Sason Shaik, Hilkka Kenttämaa, et al.Journal of Chemical Theory and Computation|March 3, 2017
A Unified Theory for the Blue- and Red-Shifting Phenomena in Hydrogen and Halogen BondsChangwei Wang, David Danovich, Sason Shaik, et al.Journal of Inorganic Biochemistry|September 19, 2002
The 'push' effect of the thiolate ligand in cytochrome P450: a theoretical gaugingFrançois Ogliaro, Samuël P de Visser, Sason ShaikJournal of the American Chemical Society|January 19, 2008
Quantum mechanical/molecular mechanical study of mechanisms of heme degradation by the enzyme heme oxygenase: the strategic function of the water clusterHui Chen, Yohann Moreau, Etienne Derat, et al.Journal of the American Chemical Society|September 16, 2004
External electric field will control the selectivity of enzymatic-like bond activationsSason Shaik, Sam P de Visser, Devesh KumarChemical Society Reviews|July 7, 2018
Structure and reactivity/selectivity control by oriented-external electric fieldsSason Shaik, Rajeev Ramanan, David Danovich, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 6, 2017
Halogen Bonds in Novel Polyhalogen MonoanionsChangwei Wang, David Danovich, Sason Shaik, et al.Journal of the American Chemical Society|September 15, 2005
Two states and two more in the mechanisms of hydroxylation and epoxidation by cytochrome P450Hajime Hirao, Devesh Kumar, Walter Thiel, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 11, 2008
A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme FeIV=O oxidantsHajime Hirao, Lawrence Que, Wonwoo Nam, et al.Journal of the American Chemical Society|September 10, 2014
Theory uncovers an unusual mechanism of DNA repair of a lesioned adenine by AlkB enzymesBinju Wang, Dandamudi Usharani, Chunsen Li, et al.Pageof 34