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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |