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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...
Autores principales: | Juanes, Marcos, Saragi, Rizalina Tama, Pérez, Cristóbal, Evangelisti, Luca, Enríquez, Lourdes, Jaraíz, Martín, Lesarri, Alberto |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
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 |
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