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The goal of this project is on the one hand to study the electronic and magnetic properties of some non- Kekulean benzenoids using quantum chemistry methods (ab initio or DFT), and on the other hand to characterize the aromaticity of these compounds by approximate methods and compare it to other cases, with and without charge transfer. The candidate should show good knowledge in quantum/theoretical chemistry and a strong motivation for this discipline. Knowledge in programming and / or linux system would be a plus. A part of the project will use our (HuLiS) program and there will be room...

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