title: Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids.
abstract: A study of two dihydroxybenzoic acid isomers shows that computational methods can be used to predict hydrate formation, the compound:water ratio and hydrate crystal structures. The calculations also help identify a novel hydrate found in the solid form screening that validates this study.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK. d.braun@ucl.ac.uk
authors.forename: Doris E
authors.initials: DE
authors.lastname: Braun
authors.forename: Panagiotis G
authors.initials: PG
authors.lastname: Karamertzanis
authors.forename: Sarah L
authors.initials: SL
authors.lastname: Price