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Water: new aspect of hydrogen bonding in the solid state
All water–water contacts in the crystal structures from the Cambridge Structural Database with d (OO) ≤ 4.0 Å have been found. These contacts were analysed on the basis of their geometries and interaction energies from CCSD(T)/CBS calculations. The results show 6729 attractive water–water contacts,...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9438494/ https://www.ncbi.nlm.nih.gov/pubmed/36071797 http://dx.doi.org/10.1107/S2052252522006728 |