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Modeling metal-ligand bonds – from ground to excited states
(TMMagCat project, 2022)
In this talk, our efforts in understanding and controlling metal-ligand bonding will be presented, mainly based on the density functional calculations. The influence of the excited states on the electronic ground state and ...
Evaluating the shape of input pertubation for forced periodic operation
(DECHEMA Gesellschaft für Chemische Technik und Biotechnologie e.V. (Society for Chemical Engineering and Biotechnology), 2022)
Continuous chemical processes are typically designed to operate under steady state
conditions. However, there is strong evidence that an optimized forced periodic
operation possesses the potential to improve process ...