Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids.
Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids.
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DOI:
10.1039/c1cc10762c
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发表时间:
2011-05-21
期刊:
影响因子:
--
通讯作者:
Price SL
中科院分区:
文献类型:
--
作者:
Braun DE;Karamertzanis PG;Price SL
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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