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Accounts of Chemical Research|May 10, 2007
Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: a tale of many statesSason Shaik, Hajime Hirao, Devesh KumarThe Journal of Physical Chemistry Letters|August 21, 2015
Formation of Carbon-Carbon Triply Bonded Molecules from Two Free Carbyne Radicals via a Conical IntersectionDavid Danovich, Avi Bino, Sason ShaikAngewandte Chemie (International Ed. in English)|June 28, 2019
The Periodic-Table-A Universal Icon: Its Birth 150 Years Ago, and Its Popularization Through Literature Art and MusicSason Shaik, Eduard Cremades, Santiago AlvarezChemical Communications (Cambridge, England)|May 21, 2010
Theoretical predictions of a highly reactive non-heme Fe(IV)=O complex with a high-spin ground stateKyung-Bin Cho, Sason Shaik, Wonwoo NamThe Journal of Organic Chemistry|May 15, 2010
VBSCF calculations on the bimolecular (E2) elimination reaction. The nature of the transition stateWei Wu, Sason Shaik, William H SaundersJournal of the American Chemical Society|September 4, 2023
Valence Bond Theory Allows a Generalized Description of Hydrogen BondingSason Shaik, David Danovich, Richard N ZareThe Journal of Physical Chemistry. A|February 24, 2006
A single transition state serves two mechanisms. The branching ratio for CH2O*- + CH3Cl on improved potential energy surfacesJie Li, Sason Shaik, H Bernhard SchlegelThe Journal of Physical Chemistry. A|May 5, 2006
Theoretical analysis of the structural and electronic properties of metalloporphyrin pi-cation radicalsHajime Hirao, Sason Shaik, Pawel M KozlowskiChemical Science|April 5, 2024
On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenasesShalini Yadav, Sason Shaik, Kshatresh Dutta DubeyMolecules (Basel, Switzerland)|April 3, 2021
Valence Bond Theory-Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future ProspectsSason Shaik, David Danovich, Philippe C HibertyPageof 34