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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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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Molecules
Prif Awduron: Iribarren, Iñigo, Sánchez-Sanz, Goar, Trujillo, Cristina
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: MDPI 2020
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC7070532/
https://ncbi.nlm.nih.gov/pubmed/32059506
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25040798
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