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Trapping of Small Molecules within Single or Double Cyclo[18]carbon Rings
The encapsulation of a set of small molecules, H(2), CO, CO(2), SO(2), and SO(3), by a circular C(18) ring is investigated by quantum calculations. These ligands lie near the center of the ring but, with the exception of H(2), are disposed roughly perpendicular to the ring plane. Their binding energ...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004474/ https://www.ncbi.nlm.nih.gov/pubmed/36903404 http://dx.doi.org/10.3390/molecules28052157 |