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Journal of the American Chemical Society|March 9, 2006
A combined kinetic-quantum mechanical model for assessment of catalytic cycles: application to cross-coupling and Heck reactionsSebastian Kozuch, Sason ShaikThe Journal of Physical Chemistry. A|June 10, 2008
Kinetic-quantum chemical model for catalytic cycles: the Haber-Bosch process and the effect of reagent concentrationSebastian Kozuch, Sason ShaikAccounts of Chemical Research|November 12, 2010
How to conceptualize catalytic cycles? The energetic span modelSebastian Kozuch, Sason ShaikJournal of Computational Chemistry|February 23, 2011
Automatic analysis of computed catalytic cyclesAndreas Uhe, Sebastian Kozuch, Sason ShaikChemistry (Weinheim an Der Bergstrasse, Germany)|June 24, 2004
Active anionic zero-valent palladium catalysts: characterization by density functional calculationsSebastian Kozuch, Sason Shaik, Anny Jutand, et al.Journal of the American Chemical Society|August 24, 2006
Does substrate oxidation determine the regioselectivity of cyclohexene and propene oxidation by cytochrome p450?Shimrit Cohen, Sebastian Kozuch, Carina Hazan, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 20, 2011
How can theory predict the selectivity of palladium-catalyzed cross-coupling of pristine aromatic molecules?Rinat Meir, Sebastian Kozuch, Andreas Uhe, et al.Journal of Computational Chemistry|October 25, 2006
The Lewis legacy: the chemical bond--a territory and heartland of chemistrySason ShaikPhysical Chemistry Chemical Physics : PCCP|June 25, 2010
Valence bond all the way: from the degenerate H-exchange to cytochrome P450Sason ShaikACS Physical Chemistry Au|May 27, 2024
My Vision of Electric-Field-Aided Chemistry in 2050Sason ShaikPageof 34