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...

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Detalles Bibliográficos
Autores principales: Sripaturad, Panyada, Karton, Amir, Stevens, Kyle, Thamwattana, Ngamta, Baowan, Duangkamon, Cox, Barry J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2023
Materias:
Chemistry
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10448309/
https://www.ncbi.nlm.nih.gov/pubmed/37638156
http://dx.doi.org/10.1039/d3na00349c

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