Search Page
Save citations to file
Email citations
Send citations to clipboard
Add to Collections
Add to My Bibliography
Create a file for external citation management software
Your saved search
Your RSS Feed
Search Results
6 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
Pourbaix Machine Learning Framework Identifies Acidic Water Oxidation Catalysts Exhibiting Suppressed Ruthenium Dissolution.
J Am Chem Soc. 2024 Jun 3. doi: 10.1021/jacs.4c01353. Online ahead of print.
J Am Chem Soc. 2024.
PMID: 38830239
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set.
Garrison AG, Heras-Domingo J, Kitchin JR, Dos Passos Gomes G, Ulissi ZW, Blau SM.
Garrison AG, et al. Among authors: heras domingo j.
J Chem Inf Model. 2023 Dec 25;63(24):7642-7654. doi: 10.1021/acs.jcim.3c01226. Epub 2023 Dec 4.
J Chem Inf Model. 2023.
PMID: 38049389
Free PMC article.
Item in Clipboard
Quantitative Description of Metal Center Organization and Interactions in Single-Atom Catalysts.
Rossi K, Ruiz-Ferrando A, Akl DF, Abalos VG, Heras-Domingo J, Graux R, Hai X, Lu J, Garcia-Gasulla D, López N, Pérez-Ramírez J, Mitchell S.
Rossi K, et al. Among authors: heras domingo j.
Adv Mater. 2024 Feb;36(5):e2307991. doi: 10.1002/adma.202307991. Epub 2023 Dec 5.
Adv Mater. 2024.
PMID: 37757786
Item in Clipboard
WhereWulff: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions.
Sanspeur RY, Heras-Domingo J, Kitchin JR, Ulissi Z.
Sanspeur RY, et al. Among authors: heras domingo j.
J Chem Inf Model. 2023 Apr 24;63(8):2427-2437. doi: 10.1021/acs.jcim.3c00142. Epub 2023 Apr 5.
J Chem Inf Model. 2023.
PMID: 37017312
Free PMC article.
Item in Clipboard
Atomically Dispersed Iridium on Indium Tin Oxide Efficiently Catalyzes Water Oxidation.
Lebedev D, Ezhov R, Heras-Domingo J, Comas-Vives A, Kaeffer N, Willinger M, Solans-Monfort X, Huang X, Pushkar Y, Copéret C.
Lebedev D, et al. Among authors: heras domingo j.
ACS Cent Sci. 2020 Jul 22;6(7):1189-1198. doi: 10.1021/acscentsci.0c00604. Epub 2020 Jul 1.
ACS Cent Sci. 2020.
PMID: 32724853
Free PMC article.
Item in Clipboard
Water Adsorption on MO2 (M = Ti, Ru, and Ir) Surfaces. Importance of Octahedral Distortion and Cooperative Effects.
González D, Heras-Domingo J, Pantaleone S, Rimola A, Rodríguez-Santiago L, Solans-Monfort X, Sodupe M.
González D, et al. Among authors: heras domingo j.
ACS Omega. 2019 Feb 11;4(2):2989-2999. doi: 10.1021/acsomega.8b03350. eCollection 2019 Feb 28.
ACS Omega. 2019.
PMID: 31459524
Free PMC article.
Item in Clipboard
Cite
Cite