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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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Supplementary files

Article information


Submitted
09 Feb 2011
Accepted
23 Mar 2011
First published
08 Apr 2011

This article is Open Access

Chem. Commun., 2011,47, 5443-5445
Article type
Communication

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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