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Reactivity of a model of B(3)P(3)-doped nanographene with up to three CO(2) molecules
The reactivity of a B(3)P(3)-doped hexa-cata-hexabenzocoronene, as a model of nanographene (B(3)P(3)-NG), towards carbon dioxide was studied at the DFT M06-2X/6-311++G(3df,3pd)//M06-2X/6-31+G* level of theory. This compound can be classified as a poly-cyclic poly-Frustrated Lewis Pair (FLP) system,...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9918725/ https://www.ncbi.nlm.nih.gov/pubmed/36765069 http://dx.doi.org/10.1038/s41598-023-29336-y |