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Issue 19, 2011
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Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids

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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.

Graphical abstract: Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids

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Publication details

The article was received on 09 Feb 2011, accepted on 23 Mar 2011 and first published on 08 Apr 2011


Article type: Communication
DOI: 10.1039/C1CC10762C
Citation: Chem. Commun., 2011,47, 5443-5445
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    Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids

    D. E. Braun, P. G. Karamertzanis and S. L. Price, Chem. Commun., 2011, 47, 5443
    DOI: 10.1039/C1CC10762C

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