Cargando…

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,...

Descripción completa

Detalles Bibliográficos
Autores principales: Milovanović, Milan R., Stanković, Ivana M., Živković, Jelena M., Ninković, Dragan B., Hall, Michael B., Zarić, Snežana D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
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