Physical and Quantum Mechanic based Transition Metal Chemistry

Beschreibung:

Quantum chemical calculations provide an additional tool in gaining further insights and understanding of bonding, reactivity and kinetics of chemical reactions involving transition metals, treating that very complex process at the molecular level, throughout the expression within the Born-Oppenheimer approximation. This talk presents the implementation of the quantum mechanics-based chemistry in the joint collaborative work between the University of Kragujevac (Serbia), the FAU Erlangen-Nürnberg, and the TH Nürnberg.

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