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Conversion of methane to benzene in CVI by density functional theory study
A density functional theory (DFT) study was employed to explore the mechanism of the conversion of methane to benzene in chemical vapor infiltration (CVI) based on the concluded reaction pathways from C(1)-species to C(6)-species. The geometry optimization and vibrational frequency analysis of all t...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6925268/ https://www.ncbi.nlm.nih.gov/pubmed/31862987 http://dx.doi.org/10.1038/s41598-019-56136-0 |