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Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M(4)L(6)](12–) Supramolecular Organometallic Cage
[Image: see text] The encapsulation of molecular guests into supramolecular hosts is a complex molecular recognition process in which the guest displaces the solvent from the host cavity, while the host deforms to let the guest in. An atomistic description of the association would provide valuable i...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479806/ https://www.ncbi.nlm.nih.gov/pubmed/34505774 http://dx.doi.org/10.1021/acs.jcim.1c00348 |