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Theoretical Studies on the Reaction Kinetic of 2-Acetylfuran with Hydroxyl Radicals

[Image: see text] With the development of synthetic methods, 2-acetylfuran (AF2) has become a potential biomass fuel. The potential energy surfaces of AF2 and OH including OH-addition reactions and H-abstraction reactions were constructed by theoretical calculations at the CCSDT/CBS/M06-2x/cc-pVTZ l...

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Detalles Bibliográficos
Autores principales:	He, Wei, Chen, Kaixuan, Zhu, Liucun, Shen, Kang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268633/ https://www.ncbi.nlm.nih.gov/pubmed/37332780 http://dx.doi.org/10.1021/acsomega.3c02636

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