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Unraveling the Nature of Hydrogen Bonds of “Proton Sponges” Based on Car-Parrinello and Metadynamics Approaches

The nature of intra- and intermolecular non-covalent interactions was studied in four naphthalene derivatives commonly referred to as “proton sponges”. Special attention was paid to an intramolecular hydrogen bond present in the protonated form of the compounds. The unsubstituted “proton sponge” ser...

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Detalles Bibliográficos
Autores principales:	Kizior, Beata, Michalczyk, Mariusz, Panek, Jarosław J., Zierkiewicz, Wiktor, Jezierska, Aneta
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9860969/ https://www.ncbi.nlm.nih.gov/pubmed/36675059 http://dx.doi.org/10.3390/ijms24021542

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