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van der Waals interaction energies for ferric ion sensors using prismatic and cylindrical pore approximations for a MOF pore

Using the Lennard–Jones potential, we determine analytical expressions for van der Waals interaction energies between a point and a rectangular prism-shaped pore, writing them in terms of standard elementary functions. The parameter values for a new ferric ion sensor are used to compare these calcul...

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Detalles Bibliográficos
Autores principales: Louw, K. I., Bradshaw-Hajek, B. H., Hill, J. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10230184/
https://www.ncbi.nlm.nih.gov/pubmed/37266036
http://dx.doi.org/10.1098/rsos.230232