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Machine Learning and Informatics Based Elucidation of Reaction Pathways for Upcycling Model Polyolefin to Aromatics

[Image: see text] Catalytic upcycling of plastics results in a complex network of potentially thousands of reactions and intermediates. Manual analysis of such a network using ab initio methods to identify plausible reaction pathways and rate-controlling steps is intractable. Here, we combine inform...

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Detalles Bibliográficos
Autores principales: Chang, Chin-Fei, Rangarajan, Srinivas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10249406/
https://www.ncbi.nlm.nih.gov/pubmed/36975726
http://dx.doi.org/10.1021/acs.jpca.3c01444