Fifty Shades of Water: Benchmarking DFT Functionals against Experimental Data for Ionic Crystalline Hydrates

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Authors: Getachew Kebede, Pavlin D. Mitev, Peter Broqvist, Anders Eriksson, Kersti Hermansson

Journal title: Journal of Chemical Theory and Computation

Journal number: 15/1

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 584-594

DOI identifier: 10.1021/acs.jctc.8b00423

ISSN: 1549-9618