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The Journal of Physical Chemistry. B
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May 26, 2006
The Poulos-Kraut mechanism of Compound I formation in horseradish peroxidase: a QM/MM study
Etienne Derat, Sason Shaik
Journal of the American Chemical Society
|
November 12, 2020
Unifying Conceptual Density Functional and Valence Bond Theory: The Hardness-Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes
Thijs Stuyver, Sason Shaik
Journal of the American Chemical Society
|
January 30, 2016
Interplay of Tunneling, Two-State Reactivity, and Bell-Evans-Polanyi Effects in C-H Activation by Nonheme Fe(IV)O Oxidants
Debasish Mandal, Sason Shaik
Nature Chemistry
|
January 24, 2015
Reply to 'entropic factors also contribute to the high melting points of polyhedral alkanes'
Sason Shaik, Santiago Alvarez
Angewandte Chemie (International Ed. in English)
|
March 29, 2011
Comment on "A low-spin ruthenium(IV)-oxo complex: does the spin state have an impact on the reactivity"
Detlef Schröder, Sason Shaik
Accounts of Chemical Research
|
November 12, 2010
How to conceptualize catalytic cycles? The energetic span model
Sebastian Kozuch, Sason Shaik
Angewandte Chemie (International Ed. in English)
|
May 2, 2018
Valence Bond Diagrams and Chemical Reactivity
Sason Shaik, Avital Shurki
Journal of Chemical Theory and Computation
|
December 1, 2015
Bound Triplet Pairs in the Highest Spin States of Coinage Metal Clusters
David Danovich, Sason Shaik
RSC Advances
|
May 18, 2013
How Do Perfluorinated Alkanoic Acids Elicit Cytochrome P450 to Catalyze Methane Hydroxylation? An MD and QM/MM Study
Chunsen Li, Sason Shaik
Journal of the American Chemical Society
|
October 19, 2006
An efficient proton-coupled electron-transfer process during oxidation of ferulic acid by horseradish peroxidase: coming full cycle
Etienne Derat, Sason Shaik
Page
of 31
Search research articles
Search
Showing results (11-20 of 310) with videos related to
Sort By:
Page
of 31
The Journal of Physical Chemistry. B
|
May 26, 2006
The Poulos-Kraut mechanism of Compound I formation in horseradish peroxidase: a QM/MM study
Etienne Derat, Sason Shaik
Journal of the American Chemical Society
|
November 12, 2020
Unifying Conceptual Density Functional and Valence Bond Theory: The Hardness-Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes
Thijs Stuyver, Sason Shaik
Journal of the American Chemical Society
|
January 30, 2016
Interplay of Tunneling, Two-State Reactivity, and Bell-Evans-Polanyi Effects in C-H Activation by Nonheme Fe(IV)O Oxidants
Debasish Mandal, Sason Shaik
Nature Chemistry
|
January 24, 2015
Reply to 'entropic factors also contribute to the high melting points of polyhedral alkanes'
Sason Shaik, Santiago Alvarez
Angewandte Chemie (International Ed. in English)
|
March 29, 2011
Comment on "A low-spin ruthenium(IV)-oxo complex: does the spin state have an impact on the reactivity"
Detlef Schröder, Sason Shaik
Accounts of Chemical Research
|
November 12, 2010
How to conceptualize catalytic cycles? The energetic span model
Sebastian Kozuch, Sason Shaik
Angewandte Chemie (International Ed. in English)
|
May 2, 2018
Valence Bond Diagrams and Chemical Reactivity
Sason Shaik, Avital Shurki
Journal of Chemical Theory and Computation
|
December 1, 2015
Bound Triplet Pairs in the Highest Spin States of Coinage Metal Clusters
David Danovich, Sason Shaik
RSC Advances
|
May 18, 2013
How Do Perfluorinated Alkanoic Acids Elicit Cytochrome P450 to Catalyze Methane Hydroxylation? An MD and QM/MM Study
Chunsen Li, Sason Shaik
Journal of the American Chemical Society
|
October 19, 2006
An efficient proton-coupled electron-transfer process during oxidation of ferulic acid by horseradish peroxidase: coming full cycle
Etienne Derat, Sason Shaik
Page
of 31