Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis

Autonomous computations that rely on automated reaction network elucidation algorithms may pave the way to make computational catalysis on a par with experimental research in the field. Several advantages of this approach are key to catalysis: (i) automation allows one to consider orders of magnitud...

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Detalles Bibliográficos
Autores principales: Steiner, Miguel, Reiher, Markus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2022
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8816766/
https://www.ncbi.nlm.nih.gov/pubmed/35185305
http://dx.doi.org/10.1007/s11244-021-01543-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8816766/
https://www.ncbi.nlm.nih.gov/pubmed/35185305
http://dx.doi.org/10.1007/s11244-021-01543-9

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