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
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.
Go to Jan Dillen's Research page
Paul Verhoeven
Go to Paul Verhoeven's Research page
Relevant Research Groups
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.
Go to Catharine Esterhuysen's Research page
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