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Chemcatchem
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September 30, 2021
The Impact of Computational Uncertainties on the Enantioselectivity Predictions: A Microkinetic Modeling of Ketone Transfer Hydrogenation with a Noyori-type Mn-diamine Catalyst
Annika M Krieger, Evgeny A Pidko
Journal of Chemical Theory and Computation
|
February 16, 2024
MACE: Automated Assessment of Stereochemistry of Transition Metal Complexes and Its Applications in Computational Catalysis
Ivan Yu Chernyshov, Evgeny A Pidko
The Journal of Physical Chemistry. A
|
February 18, 2026
Performance of Meta's Universal Model for Atoms across the Conformational and Configurational Space of Diverse Transition-Metal Catalysts
Adarsh V Kalikadien, Evgeny A Pidko
Chemcatchem
|
March 7, 2020
Operando Modeling of Multicomponent Reactive Solutions in Homogeneous Catalysis: from Non-standard Free Energies to Reaction Network Control
Pavel O Kuliaev, Evgeny A Pidko
The Journal of Physical Chemistry. B
|
February 24, 2006
Confined space-controlled olefin-oxygen charge transfer in zeolites
Evgeny A Pidko, Rutger A van Santen
Chemical Science
|
April 18, 2022
Solvent-mediated outer-sphere CO<sub>2</sub> electro-reduction mechanism over the Ag111 surface
Vivek Sinha, Elena Khramenkova, Evgeny A Pidko
Chemical Communications (Cambridge, England)
|
July 26, 2021
Mechanistic investigation of benzene esterification by K<sub>2</sub>CO<sub>3</sub>/TiO<sub>2</sub>: the catalytic role of the multifunctional interface
Jittima Meeprasert, Guanna Li, Evgeny A Pidko
Physical Chemistry Chemical Physics : PCCP
|
December 16, 2020
Accurate and rapid prediction of p<i>K</i><sub>a</sub> of transition metal complexes: semiempirical quantum chemistry with a data-augmented approach
Vivek Sinha, Jochem J Laan, Evgeny A Pidko
Digital Discovery
|
March 28, 2022
<i>ChemSpaX</i>: exploration of chemical space by automated functionalization of molecular scaffold
Adarsh V Kalikadien, Evgeny A Pidko, Vivek Sinha
Chemical Communications (Cambridge, England)
|
January 23, 2023
Performance of homogeneous catalysts viewed in dynamics
Wenjun Yang, Georgy A Filonenko, Evgeny A Pidko
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of 13
Search research articles
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Showing results (1-10 of 129) with videos related to
Sort By:
Page
of 13
Chemcatchem
|
September 30, 2021
The Impact of Computational Uncertainties on the Enantioselectivity Predictions: A Microkinetic Modeling of Ketone Transfer Hydrogenation with a Noyori-type Mn-diamine Catalyst
Annika M Krieger, Evgeny A Pidko
Journal of Chemical Theory and Computation
|
February 16, 2024
MACE: Automated Assessment of Stereochemistry of Transition Metal Complexes and Its Applications in Computational Catalysis
Ivan Yu Chernyshov, Evgeny A Pidko
The Journal of Physical Chemistry. A
|
February 18, 2026
Performance of Meta's Universal Model for Atoms across the Conformational and Configurational Space of Diverse Transition-Metal Catalysts
Adarsh V Kalikadien, Evgeny A Pidko
Chemcatchem
|
March 7, 2020
Operando Modeling of Multicomponent Reactive Solutions in Homogeneous Catalysis: from Non-standard Free Energies to Reaction Network Control
Pavel O Kuliaev, Evgeny A Pidko
The Journal of Physical Chemistry. B
|
February 24, 2006
Confined space-controlled olefin-oxygen charge transfer in zeolites
Evgeny A Pidko, Rutger A van Santen
Chemical Science
|
April 18, 2022
Solvent-mediated outer-sphere CO<sub>2</sub> electro-reduction mechanism over the Ag111 surface
Vivek Sinha, Elena Khramenkova, Evgeny A Pidko
Chemical Communications (Cambridge, England)
|
July 26, 2021
Mechanistic investigation of benzene esterification by K<sub>2</sub>CO<sub>3</sub>/TiO<sub>2</sub>: the catalytic role of the multifunctional interface
Jittima Meeprasert, Guanna Li, Evgeny A Pidko
Physical Chemistry Chemical Physics : PCCP
|
December 16, 2020
Accurate and rapid prediction of p<i>K</i><sub>a</sub> of transition metal complexes: semiempirical quantum chemistry with a data-augmented approach
Vivek Sinha, Jochem J Laan, Evgeny A Pidko
Digital Discovery
|
March 28, 2022
<i>ChemSpaX</i>: exploration of chemical space by automated functionalization of molecular scaffold
Adarsh V Kalikadien, Evgeny A Pidko, Vivek Sinha
Chemical Communications (Cambridge, England)
|
January 23, 2023
Performance of homogeneous catalysts viewed in dynamics
Wenjun Yang, Georgy A Filonenko, Evgeny A Pidko
Page
of 13