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Popular Abstract in English In our current world, the exponential growth in demand for smaller and faster devices leads to the fact that we will eventually face the problem that traditional semiconductor technologies will reach their limitation in terms of size and speed. Humanity's consciousness to tackle the global ecological issues in the next decade, will demand the substitution of all non-reuThe work presented in this thesis addresses the investigation of the electronic, magnetic, and structural properties of late transition metal complexes supported on various surfaces. The research is aimed at studying the interaction between the molecules and the support, together with the intermolecular interaction. This knowledge is essential e.g. for the development of organic molecule-based dev