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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...
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/PMC10268633/ https://www.ncbi.nlm.nih.gov/pubmed/37332780 http://dx.doi.org/10.1021/acsomega.3c02636 |