Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods

Weakly-bound intermolecular clusters constitute reductionist physical models for non-covalent interactions. Here we report the observation of the monomer, the dimer and the monohydrate of 2-adamantanol, a secondary alcohol with a bulky ten-carbon aliphatic skeleton. The molecular species were genera...

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Detalles Bibliográficos
Autores principales: Juanes, Marcos, Saragi, Rizalina Tama, Pérez, Cristóbal, Evangelisti, Luca, Enríquez, Lourdes, Jaraíz, Martín, Lesarri, Alberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9030514/
https://www.ncbi.nlm.nih.gov/pubmed/35458782
http://dx.doi.org/10.3390/molecules27082584

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9030514/
https://www.ncbi.nlm.nih.gov/pubmed/35458782
http://dx.doi.org/10.3390/molecules27082584

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