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The Balance between Hydrogen Bonds, Halogen Bonds, and Chalcogen Bonds in the Crystal Structures of a Series of 1,3,4-Chalcogenadiazoles

In order to explore how specific atom-to-atom replacements change the electrostatic potentials on 1,3,4-chalcogenadiazole derivatives, and to deliberately alter the balance between intermolecular interactions, four target molecules were synthesized and characterized. DFT calculations indicated that...

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Détails bibliographiques
Publié dans:Molecules
Auteurs principaux: De Silva, Viraj, Averkiev, Boris B., Sinha, Abhijeet S., Aakeröy, Christer B.
Format: Artigo
Langue:Inglês
Publié: MDPI 2021
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC8306955/
https://ncbi.nlm.nih.gov/pubmed/34299407
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26144125
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