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dc.contributor.authorCoombes, D.
dc.contributor.authorCatlow, R.
dc.contributor.authorGale, Julian
dc.contributor.authorRohl, Andrew
dc.contributor.authorPrice, S.
dc.identifier.citationCoombes, David S. and Catlow, C. Richard A. and Gale, Julian D. and Rohl, Andrew L. and Price, Sarah L.. 2005. Calculation of Attachment Energies and Relative Volume Growth Rates As an Aid to Polymorph Prediction. Crystal Growth and Design 5 (3): 879-885.

We calculate the morphologies of a number of the observed and hypothetical crystal structures of paracetamol, parabanic acid, and pyridine using the attchment energy model. We also estimate the relative growth volumes of the different polymorphs. This quantity is found to exhibit a large variation, which is generally well correlated with the attachment energy of teh most dominant face of each polymorph, thus indicating how one face controls crystal growth. Such calculations suggest which thermodynamically feasible crystal structures could have a kinetic advantage in crystal growth. The application of the present results to polymorph prediction is discussed.

dc.publisherAmerican Chemical Society
dc.titleCalculation of Attachment Energies and Relative Volume Growth Rates As an Aid to Polymorph Prediction
dc.typeJournal Article
dcterms.source.titleCrystal Growth and Design

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curtin.accessStatusFulltext not available
curtin.facultyDepartment of Applied Chemistry
curtin.facultyDivision of Engineering, Science and Computing
curtin.facultyFaculty of Science

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