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Wednesday 15 November 2017, 14:15-15:15
The Challenges to Theory of Predicting the Crystallisation of Organic Molecules
- đ¤ Speaker: Professor Sally Price, University College London đ Website
- đ Date & Time: Wednesday 15 November 2017, 14:15 - 15:15
- đ Venue: Department of Chemistry, Cambridge, Unilever lecture theatre
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Lisa Masters
Abstract
The control of crystallisation of organic molecules, such as pharmaceuticals, is a major industrial concern. It could be aided by computational prediction of the crystal structures and their properties. Comparisons with experimental results for a variety of molecules show that the approximations that we currently make in modelling inter- and intramolecular forces, and in the theories for calculating properties, are not yet reliably accurate enough. Indeed, we do not yet understand what determines which low energy structures will be observed polymorphs.
Series This talk is part of the Theory - Chemistry Research Interest Group series.
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