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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...

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Detalles Bibliográficos
Autores principales: Iribarren, Iñigo, Sánchez-Sanz, Goar, Trujillo, Cristina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
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