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The Journal of Physical Chemistry Letters
|
March 24, 2022
Critical Roles of Exchange and Superexchange Interactions in Dictating Electron Transfer and Reactivity in Metalloenzymes
Binju Wang, Peng Wu, Sason Shaik
Journal of Computational Chemistry
|
February 23, 2011
Automatic analysis of computed catalytic cycles
Andreas Uhe, Sebastian Kozuch, Sason Shaik
Journal of Molecular Modeling
|
August 25, 2022
The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods
Yirong Mo, David Danovich, Sason Shaik
Journal of the American Chemical Society
|
November 8, 2017
Electronic Effects on Room-Temperature, Gas-Phase C-H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge
Helmut Schwarz, Sason Shaik, Jilai Li
The Journal of Physical Chemistry. B
|
February 25, 2011
Multireference and multiconfiguration ab initio methods in heme-related systems: what have we learned so far?
Hui Chen, Wenzhen Lai, Sason Shaik
Journal of Computational Chemistry
|
June 22, 2006
Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor
Ahmet Altun, Sason Shaik, Walter Thiel
Journal of the American Chemical Society
|
February 24, 2006
In silico design of a mutant of cytochrome P450 containing selenocysteine
Shimrit Cohen, Devesh Kumar, Sason Shaik
Angewandte Chemie (International Ed. in English)
|
March 23, 2012
The origins of dramatic axial ligand effects: closed-shell Mn(V)O complexes use exchange-enhanced open-shell States to mediate efficient H abstraction reactions
Deepa Janardanan, Dandamudi Usharani, Sason Shaik
Accounts of Chemical Research
|
January 4, 2018
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
Debasish Mandal, Dibyendu Mallick, Sason Shaik
Journal of the American Chemical Society
|
January 11, 2021
Conformational Motion of Ferredoxin Enables Efficient Electron Transfer to Heme in the Full-Length P450<sub>TT</sub>
Zhanfeng Wang, Sason Shaik, Binju Wang
Page
of 31
Search research articles
Search
Showing results (31-40 of 310) with videos related to
Sort By:
Page
of 31
The Journal of Physical Chemistry Letters
|
March 24, 2022
Critical Roles of Exchange and Superexchange Interactions in Dictating Electron Transfer and Reactivity in Metalloenzymes
Binju Wang, Peng Wu, Sason Shaik
Journal of Computational Chemistry
|
February 23, 2011
Automatic analysis of computed catalytic cycles
Andreas Uhe, Sebastian Kozuch, Sason Shaik
Journal of Molecular Modeling
|
August 25, 2022
The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods
Yirong Mo, David Danovich, Sason Shaik
Journal of the American Chemical Society
|
November 8, 2017
Electronic Effects on Room-Temperature, Gas-Phase C-H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge
Helmut Schwarz, Sason Shaik, Jilai Li
The Journal of Physical Chemistry. B
|
February 25, 2011
Multireference and multiconfiguration ab initio methods in heme-related systems: what have we learned so far?
Hui Chen, Wenzhen Lai, Sason Shaik
Journal of Computational Chemistry
|
June 22, 2006
Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor
Ahmet Altun, Sason Shaik, Walter Thiel
Journal of the American Chemical Society
|
February 24, 2006
In silico design of a mutant of cytochrome P450 containing selenocysteine
Shimrit Cohen, Devesh Kumar, Sason Shaik
Angewandte Chemie (International Ed. in English)
|
March 23, 2012
The origins of dramatic axial ligand effects: closed-shell Mn(V)O complexes use exchange-enhanced open-shell States to mediate efficient H abstraction reactions
Deepa Janardanan, Dandamudi Usharani, Sason Shaik
Accounts of Chemical Research
|
January 4, 2018
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
Debasish Mandal, Dibyendu Mallick, Sason Shaik
Journal of the American Chemical Society
|
January 11, 2021
Conformational Motion of Ferredoxin Enables Efficient Electron Transfer to Heme in the Full-Length P450<sub>TT</sub>
Zhanfeng Wang, Sason Shaik, Binju Wang
Page
of 31