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Catalytic effect of graphene on the inversion of corannulene using a continuum approach with the Lennard-Jones potential
The catalytic effect of graphene on the corannulene bowl-to-bowl inversion is confirmed in this paper using a pair-wise dispersion interaction model. In particular, a continuum approach together with the Lennard-Jones potential are adopted to determine the interaction energy between corannulene and...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10448309/ https://www.ncbi.nlm.nih.gov/pubmed/37638156 http://dx.doi.org/10.1039/d3na00349c |