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Theoretical Study on the Unimolecular Pyrolysis of Thiophene and Modeling

[Image: see text] Thiophenic sulfur is the most stable and abundant organic sulfur species in petroleum. Removal of thiophenes has profound significance in environmental protection. In this work, we investigate the unimolecular pyrolysis of thiophene from a kinetic perspective. High-level ab initio...

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Detalles Bibliográficos
Autores principales: Li, Tianshuang, Zhang, Hongliang, Li, Yun, Li, Jie, Wang, Jingkun, Xiao, Jin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8359137/
https://www.ncbi.nlm.nih.gov/pubmed/34395994
http://dx.doi.org/10.1021/acsomega.1c02155