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Properties of Microporous Materials
The Brønsted acidity of these microporous materials results in their use as catalysts. We are attempting to develop general theories and models to determine structure-property relationships for such sites.4 We are also studying the distribution of extra-framework cations within the micropores in order to characterise their ion-exchange capabilities and their effect on sorption properties. The research projects described (and other) use a wide range of computational methods - QM, forcefield methods, molecular dynamics, Monte Carlo and QSAR. The work involves close collaboration with a number of experimental groups both in the UK and abroad.
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