Quantum Chemical and Classical Simulations of Systems Containing Transition Metals
These researchers employ quantum chemical methods and classical simulations techniques to study the following chemical problems:
- Homogeous and heterogeneous catalysis in energy-related processes
- Reactivity and separation processes in nanoporous materials
- Heavy element containing chemical systems.
The group employs various software packages available through MSI.
A bibliography of this group’s publications is attached.
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