Water: new aspect of hydrogen bonding in the solid state

Water: new aspect of hydrogen bonding in the solid state

All water–water contacts in the crystal structures from the Cambridge Structural Database with dOO ≤ 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, of...

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Bibliographic Details
Main Authors: Milan R. Milovanović, Ivana M. Stanković, Jelena M. Živković, Dragan B. Ninković, Michael B. Hall, Snežana D. Zarić
Format: Article
Language:English
Published: International Union of Crystallography 2022-09-01
Series:IUCrJ
Subjects:
water
hydrogen bonds
antiparallel interactions
ab initio calculations
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2052252522006728

Internet

http://scripts.iucr.org/cgi-bin/paper?S2052252522006728

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