Deep reaction network exploration at a heterogeneous catalytic interface

Characterizing the reaction energies and barriers of reaction networks is central to catalyst development. However, heterogeneous catalytic surfaces pose several unique challenges to automatic reaction network characterization, including large sizes and open-ended reactant sets, that make ad hoc net...

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Detalles Bibliográficos
Autores principales: Zhao, Qiyuan, Xu, Yinan, Greeley, Jeffrey, Savoie, Brett M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9388529/
https://www.ncbi.nlm.nih.gov/pubmed/35982057
http://dx.doi.org/10.1038/s41467-022-32514-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9388529/
https://www.ncbi.nlm.nih.gov/pubmed/35982057
http://dx.doi.org/10.1038/s41467-022-32514-7

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