Recommended Reviews
| 131. |
S. Shaik , S. Zilberg and Y. Haas
"A Kekule-Crossing Model for the Anomalous behavior of the b2u Modes of Polyaromatic Hydrocarbons in the Lowest Excited 1B2u State"
Acc. Chem. Res., 29, 211-218 (1996). |
| 150. |
S. Shaik and A. Shurki
"Valence Bond Diagrams and Chemical Reactivity"
Angew. Chem. In Ed. Engl., 38, 586-625 (1999). Angew. Chem. 111, 616-657 (1999). |
| 176. |
D. Schroeder, S. Shaik, H. Schwarz
"Two-State Reactivity as a new Concept in Organometallic Chemistry"
Acc. Chem. Res., 33, 139-145 (2000). |
| 191. |
S. Shaik, A. Shurki, D. Danovich, P.C. Hiberty
"A Different Story of p-Delocalization: The Distortivity of p-Electrons and Its Chemical manifestations"
Chem. Rev., 101, 1501-1539 (2001). |
| 240. |
S. Shaik, S.P. de Visser, F. Ogliaro, H. Schwarz, D. Schroeder
"Two State Reactivity (TSR) Mechanism of Hydroxylation and Epoxidation by Cytochrome P450 Revealed by Theory."
Curr. Opinion Chem. Biol. 6, 556-567 (2002). |
| 245. |
S. Shaik, S. Cohen, S.P. de Visser, P.K. Sharma, D. Kumar, S. Kozuch, F. Ogliaro, and D. Danovich
"The "Rebound Controversy": An Overview and Theoretical Modeling of the Rebound Step in Mono-Oxygenations by Cytochrome P450"
Eur. J. Inorg. Chem. 207-226 (2004). |
| 247. |
S. Shaik, P.C. Hiberty
"Valence Bond Theory, Its History, Fundamentals and Applications- A Primer"
Reviews in Computational Chemistry, submitted (upon invitation). |
| 252. |
S. Shaik, S.P. de Visser
"Computational Approaches to Cytochrome P450 Functions",
in: Ortiz de Montellano, P. R., Ed. Cytochrome P450: Structure, Mechanism and Biochemistry, 2nd. ed.; Plenum Press: New York, 2003.
|
| 267. |
B. Meunier, S.P. de Visser, S. Shaik
"Mechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes"
Chem. Rev., 104, 3947-3980 (2004).
|
| 289. |
S. Shaik, S.P. de Visser, D. Kumar, A. Altun, W. Thiel
"Theoretical Perspective on Structure and Mechanisms of Cytochrome P450 Enzymes".
Chem. Rev. 2005, 105, 2279-2328 (2005). ESI Special Topics
|
| 389. |
S. Shaik, S. Cohen, Y. Wang, H. Chen, D. Kumar, W. Thiel
"P450 Enzymes: Their Structure, Reactivity, and SelectivitysModeled by QM/MM Calculations".
Chem. Rev. 2010, 110, 949-1017 (2010).
|
| 667. |
S. Shaik, D. Mandal, R. Ramanan
"Oriented electric fields as future smart reagents in chemistry".
Nat. Chem. 2016, 8, 1091-1098 (2016).
|
| 695. |
D. Mandal, D. Mallick, S. Shaik
"Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes".
Acc. Chem. Res. 2018, 51, 107-117 (2018).
|
| 706. |
S. Shaik, R. Ramanan, D. Danovich, D. Mandal
"Structure and reactivity/selectivity control by oriented-external electric fields".
Chem. Soc. Rev. 2018, 47, 5101-5532 (2018).
|
| 710. |
S. Shaik, D. Danovich, J. M. Galbraith, B. Braida, W. Wu, P.C. Hiberty
"Charge-Shift Bonding: A New and Unique Form of Bonding".
Angew. Chem. 2020, 132, 996-1013 (2020).
|
| 838. |
S. Shaik, D. Danovich, J. Joy, Z. Wang, T. Stuyver
"Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control".
J. Am. Chem. Soc. 2020, 142, 12551-12562 (2020).
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