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Journal of Chemical Information and Modeling
|
April 5, 2023
<i>WhereWulff</i>: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions
Rohan Yuri Sanspeur, Javier Heras-Domingo, John R Kitchin, et al.
ACS Omega
|
August 29, 2019
Water Adsorption on MO<sub>2</sub> (M = Ti, Ru, and Ir) Surfaces. Importance of Octahedral Distortion and Cooperative Effects
Danilo González, Javier Heras-Domingo, Stefano Pantaleone, et al.
Journal of Chemical Information and Modeling
|
December 4, 2023
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set
Aaron G Garrison, Javier Heras-Domingo, John R Kitchin, et al.
ACS Central Science
|
July 30, 2020
Atomically Dispersed Iridium on Indium Tin Oxide Efficiently Catalyzes Water Oxidation
Dmitry Lebedev, Roman Ezhov, Javier Heras-Domingo, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
September 27, 2023
Quantitative Description of Metal Center Organization and Interactions in Single-Atom Catalysts
Kevin Rossi, Andrea Ruiz-Ferrando, Dario Faust Akl, et al.
Journal of the American Chemical Society
|
June 3, 2024
Pourbaix Machine Learning Framework Identifies Acidic Water Oxidation Catalysts Exhibiting Suppressed Ruthenium Dissolution
Jehad Abed, Javier Heras-Domingo, Rohan Yuri Sanspeur, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
April 5, 2023
<i>WhereWulff</i>: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions
Rohan Yuri Sanspeur, Javier Heras-Domingo, John R Kitchin, et al.
ACS Omega
|
August 29, 2019
Water Adsorption on MO<sub>2</sub> (M = Ti, Ru, and Ir) Surfaces. Importance of Octahedral Distortion and Cooperative Effects
Danilo González, Javier Heras-Domingo, Stefano Pantaleone, et al.
Journal of Chemical Information and Modeling
|
December 4, 2023
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set
Aaron G Garrison, Javier Heras-Domingo, John R Kitchin, et al.
ACS Central Science
|
July 30, 2020
Atomically Dispersed Iridium on Indium Tin Oxide Efficiently Catalyzes Water Oxidation
Dmitry Lebedev, Roman Ezhov, Javier Heras-Domingo, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
September 27, 2023
Quantitative Description of Metal Center Organization and Interactions in Single-Atom Catalysts
Kevin Rossi, Andrea Ruiz-Ferrando, Dario Faust Akl, et al.
Journal of the American Chemical Society
|
June 3, 2024
Pourbaix Machine Learning Framework Identifies Acidic Water Oxidation Catalysts Exhibiting Suppressed Ruthenium Dissolution
Jehad Abed, Javier Heras-Domingo, Rohan Yuri Sanspeur, et al.
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of 1