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Chemistry
Israel
2026

D-Index & Metrics

Chemistry

D-Index
122
Citations
57205
World Ranking
454
National Ranking
6

Research.com Recognitions

  • 2026 - Research.com Chemistry in Israel Leader Award
  • 2025 - Research.com Chemistry in Israel Leader Award
  • 2023 - Research.com Chemistry in Israel Leader Award
  • 2022 - Research.com Chemistry in Israel Leader Award
  • 2003 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Sason Shaik is affiliated with the Hebrew University of Jerusalem in Israel and has a research portfolio focused primarily in the field of chemistry, with 113 publications across various subfields. Their work spans inorganic chemistry, organic chemistry, atomic and molecular physics and optics, physical and theoretical chemistry, and molecular biology.

The researcher's main topics include metal-catalyzed oxygenation mechanisms, molecular junctions and nanostructures, pharmacogenetics and drug metabolism, advanced chemical physics studies, electrochemical analysis and applications, spectroscopy and quantum chemical studies, and studies on metalloenzymes and iron-sulfur proteins.

Among their recent papers are:

  • Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control (2020, Journal of the American Chemical Society)
  • Oriented External Electric Fields and Ionic Additives Elicit Catalysis and Mechanistic Crossover in Oxidative Addition Reactions (2020, Journal of the American Chemical Society)
  • Solvent Organization and Rate Regulation of a Menshutkin Reaction by Oriented External Electric Fields are Revealed by Combined MD and QM/MM Calculations (2020, Journal of the American Chemical Society)
  • Deciphering the oxygen activation mechanism at the CuC site of particulate methane monooxygenase (2021, Nature Catalysis)
  • How Do Preorganized Electric Fields Function in Catalytic Cycles? The Case of the Enzyme Tyrosine Hydroxylase (2022, Journal of the American Chemical Society)

Their frequent co-authors include David Danovich, Kshatresh Dutta Dubey, Binju Wang, Thijs Stuyver, and Surajit Kalita.

Sason Shaik has published extensively in the following venues:

  • Journal of the American Chemical Society (21 publications)
  • Angewandte Chemie International Edition (9 publications)
  • Angewandte Chemie (8 publications)
  • ACS Catalysis (7 publications)
  • Israel Journal of Chemistry (4 publications)

Their work intersects multiple disciplines within the chemical sciences, emphasizing theoretical and applied aspects of catalysis and reaction mechanisms.

Sason Shaik was awarded the title of Fellow of the American Association for the Advancement of Science (AAAS) in 2003, a recognition bestowed twice in that year.

Best Publications

  • Mechanism of oxidation reactions catalyzed by cytochrome p450 enzymes.

    Bernard Meunier;Samuël P de Visser;Sason Shaik

  • How to conceptualize catalytic cycles? The energetic span model.

    Sebastian Kozuch;Sason Shaik

  • P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

    Sason Shaik;Shimrit Cohen;Yong Wang;Hui Chen

  • Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

    Sason Shaik;Devesh Kumar;Samuël P. de Visser;and Ahmet Altun

  • Two-State Reactivity as a New Concept in Organometallic Chemistry§

    Detlef Schröder;Sason Shaik;Helmut Schwarz

  • A Chemist's Guide to Valence Bond Theory

    Sason S. Shaik;Philippe C Hiberty

  • A combined kinetic-quantum mechanical model for assessment of catalytic cycles: application to cross-coupling and Heck reactions.

    Sebastian Kozuch and;Sason Shaik

  • Reactivity of High-Valent Iron–Oxo Species in Enzymes and Synthetic Reagents: A Tale of Many States

    Sason Shaik;Hajime Hirao;Devesh Kumar;Devesh Kumar

  • Oriented electric fields as future smart reagents in chemistry

    Sason Shaik;Debasish Mandal;Rajeev Ramanan

  • 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

  • Axial ligand tuning of a nonheme iron(IV)–oxo unit for hydrogen atom abstraction

    Chivukula V. Sastri;Jimin Lee;Kyungeun Oh;Yoon Jin Lee

  • What happens to molecules as they react? A valence bond approach to reactivity

    Sason S. Shaik

  • Structure and reactivity/selectivity control by oriented-external electric fields

    Sason Shaik;Rajeev Ramanan;David Danovich;Debasish Mandal

  • Electronic Structure Makes a Difference: Cytochrome P-450 Mediated Hydroxylations of Hydrocarbons as a Two-State Reactivity Paradigm

    Sason Shaik;Michael Filatov;Detlef Schröder;Helmut Schwarz

  • Valence Bond Diagrams and Chemical Reactivity.

    Sason Shaik;Avital Shurki

  • A qualitative valence-bond approach to organic reactivity

    Addy Pross;Sason S. Shaik

  • Two-State Reactivity in Alkane Hydroxylation by Non-Heme Iron−Oxo Complexes

    Hajime Hirao;Devesh Kumar;Lawrence Que;Sason Shaik

  • Charge-shift bonding and its manifestations in chemistry

    Sason Shaik;David Danovich;Wei Wu;Philippe C. Hiberty

  • Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanism.

    Jan C. Schöneboom;Shimrit Cohen;Hai Lin;Sason Shaik

  • Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory.

    Sason Shaik;Samuël P de Visser;François Ogliaro;Helmut Schwarz

  • Kinetic-quantum chemical model for catalytic cycles: the Haber-Bosch process and the effect of reagent concentration.

    Sebastian Kozuch;Sason Shaik

Frequent Co-Authors

Philippe C. Hiberty
Philippe C. Hiberty University of Paris-Saclay
Sam P. de Visser
Sam P. de Visser University of Manchester
Devesh Kumar
Devesh Kumar Babasaheb Bhimrao Ambedkar University
Hajime Hirao
Hajime Hirao City University of Hong Kong
Hui Chen
Hui Chen University of Chinese Academy of Sciences
Wei Wu
Wei Wu Xiamen University
Helmut Schwarz
Helmut Schwarz Technical University of Berlin
Wonwoo Nam
Wonwoo Nam Ewha Womans University
Walter Thiel
Walter Thiel Max Planck Society
Gilles Ohanessian
Gilles Ohanessian École Polytechnique

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