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Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds
A computational study of the iodide discrimination by different neutral and cationic iodotriazole halogen bonding hosts was carried out by means of Density Functional Theory. The importance of the size of the scaffold was highlighted and its impact observed in the binding energies and intermolecular...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7070532/ https://www.ncbi.nlm.nih.gov/pubmed/32059506 http://dx.doi.org/10.3390/molecules25040798 |