Browsing Fakultät für Chemie (inkl. GAUSS) by Advisor & Referee "Blöchl, Peter E. Prof. Dr."
Now showing items 1-4 of 4
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Theoretical studies of metal-metal cooperativity in pyrazolate-bridged complexes
(2024-04-11)Transition metal complexes can play a variety of important roles in regard to catalysis, materials synthesis, photochemistry, and biological systems through use of their unique electronic structure, and the resulting ... -
On the dynamics of H atom scattering from metal surfaces
(2022-04-26)When a hydrogen atom collides with a surface it may either scatter or stick to the surface, depending on the energy loss the particle experiences during collision. It is established that non-adiabatic effects in form of ... -
Investigation of Lithium Manganese Oxides Using High-Dimensional Neural Networks
(2022-03-03)Unraveling the atomic and electronic processes in modern energy materials is a key to advances in many important applications, from battery technology to heterogeneous catalysis. A prominent electrode material in lithium ... -
Theoretical Studies of Ru- and Re-based Catalysts for Artificial Photosynthesis
(2018-02-07)The conversion of light into energy stored in a sustainable and economic way is one of the main challenges of the 21st century. Artificial photosynthesis is therefore an active research field in many parts of science. Molecular ...