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

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.

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Detalhes bibliográficos
Main Authors: Braun, Doris E., Karamertzanis, Panagiotis G., Price, Sarah L.
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3175531/
https://ncbi.nlm.nih.gov/pubmed/21475750
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c1cc10762c
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