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Overview

The department’s research efforts in physical chemistry mostly focus on the use and application of computational techniques to study the structure and properties of isolated molecules, crystalline systems, and chemical reactions.

Relevant Research Groups

Jan Dillen

Jan Dillen

Research Summary: We develop and apply computational methods to study molecular systems and their properties. Research projects usually concentrate on solving questions like how? and why?, rather than trying to make a statement like yes or no. The development efforts concentrate of classical force field methodologies but quantum mechanics plays an important role in our research.

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Catharine Esterhuysen

Catharine Esterhuysen

Research Summary: My research involves investigating the structural characteristics of molecules, either experimentally, by single crystal X-ray diffraction, or computationally, using quantum mechanical and force field calculations. Since the structure of a molecule has a direct relationship to its physical properties, this allows me to analyse and elucidate interesting physical phenomena, in particular the study of the porosity of various compounds.

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Willem Gerber

Research Summary: Pending input

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Paul Verhoeven

Research Summary: Pending input

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