Defects in MOFs © Petko Petkov Grafik Die Prefessur von  Anja Förster

Theoretical Chemistry group

The Theoretical Chemistry working group has been established in October 2001. Since April 2018 it is headed by Prof. Dr. rer. nat. Thomas Heine.

The group's main research fields are quantum chemistry, physics and chemistry of clusters, and computational material research. Our activities encompass the development of quantum-chemical methods and compuational tools, calculations on the geometric and electronic structure, on spectroscopic and material related properties of molecules, clusters and condensed matter as well as quantum molecular dynamic simulations for studies of dynamical processes.

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