Sason Shaik
Sason Shaik
Professor of Chemistry, Institute of Chemistry, The Hebrew University of Jerusalem
Verified email at yfaat.ch.huji.ac.il
TitleCited byYear
Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes
B Meunier, SP de Visser, S Shaik
Chemical reviews 104 (9), 3947-3980, 2004
19432004
Two-State Reactivity as a New Concept in Organometallic Chemistry
D Schröder, S Shaik, H Schwarz
Accounts of chemical research 33 (3), 139-145, 2000
9772000
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes
S Shaik, D Kumar, SP de Visser, A Altun, W Thiel
Chemical reviews 105 (6), 2279-2328, 2005
9752005
P450 enzymes: Their structure, reactivity, and selectivity modeled by QM/MM calculations
S Shaik, S Cohen, Y Wang, H Chen, D Kumar, W Thiel
Chemical reviews 110 (2), 949-1017, 2009
7012009
How to conceptualize catalytic cycles? The energetic span model
S Kozuch, S Shaik
Accounts of chemical research 44 (2), 101-110, 2010
6992010
Theoretical Aspects of Physical Organic Chemistry. The SN2 Mechanism
SS Shaik, HB Schlegel, S Wolfe
Wiley, New S, 1992
637*1992
Theoretical Aspects of Physical Organic Chemistry. Application to the SN2 Transition State
SS Shaik, HB Schlegel, S Wolfe
Wiley Interscience, New York H. ZIPSE, 1992
637*1992
Theory and Applications of Computational Chemistry: the first forty years
C Dykstra, G Frenking, K Kim, G Scuseria
Elsevier Science, 2005
446*2005
A chemist's guide to valence bond theory
SS Shaik, PC Hiberty
John Wiley & Sons, 2008
4172008
Reactivity of high-valent iron–oxo species in enzymes and synthetic reagents: a tale of many states
S Shaik, H Hirao, D Kumar
Accounts of chemical research 40 (7), 532-542, 2007
4152007
A qualitative valence-bond approach to organic reactivity
A Pross, SS Shaik
Accounts of Chemical Research 16 (10), 363-370, 1983
3731983
A model “rebound” mechanism of hydroxylation by cytochrome P450: stepwise and effectively concerted pathways, and their reactivity patterns
F Ogliaro, N Harris, S Cohen, M Filatov, SP de Visser, S Shaik
Journal of the American Chemical Society 122 (37), 8977-8989, 2000
3702000
Electronic Structure Makes a Difference: Cytochrome P‐450 Mediated Hydroxylations of Hydrocarbons as a Two‐State Reactivity Paradigm
S Shaik, M Filatov, D Schröder, H Schwarz
Chemistry–A European Journal 4 (2), 193-199, 1998
3691998
What happens to molecules as they react? A valence bond approach to reactivity
SS Shaik
Journal of the American Chemical Society 103 (13), 3692-3701, 1981
3481981
VB diagrams and chemical reactivity
S Shaik, A Shurki
Angew. Chem. Int. Ed 38, 586-625, 1999
327*1999
The Collage of SN2 Reactivity Patterns: A State Correlation Diagram Model
SS SHAIK
Progress in physical organic chemistry 15, 197, 2009
3232009
Electronic structures and gas-phase reactivities of cationic late-transition-metal oxides
A Fiedler, D Schroeder, S Shaik, H Schwarz
Journal of the American Chemical Society 116 (23), 10734-10741, 1994
3131994
Axial ligand tuning of a nonheme iron (IV)–oxo unit for hydrogen atom abstraction
CV Sastri, J Lee, K Oh, YJ Lee, J Lee, TA Jackson, K Ray, H Hirao, ...
Proceedings of the National Academy of Sciences 104 (49), 19181-19186, 2007
3092007
A combined kinetic− quantum mechanical model for assessment of catalytic cycles: application to cross-coupling and Heck reactions
S Kozuch, S Shaik
Journal of the American Chemical Society 128 (10), 3355-3365, 2006
3092006
Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory
S Shaik, SP de Visser, F Ogliaro, H Schwarz, D Schröder
Current opinion in chemical biology 6 (5), 556-567, 2002
2912002
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