 | Konstantinos Pantelis Zois University of Vienna Institute of Theoretical Chemistry Währinger Str. 17 1090 Vienna Austria konstantinos.pantelis.zois@univie.ac.at +43 1 4277 52746 ORCID: 0000-0002-3833-9806 Google Scholar: TZJfVCkAAAAJ&hl=el |
| Focus Area |
| I am an ex-Inorganic chemist, and as such, my research is focused on the Theoretical description of Organometallic complexes and most importantly their interaction with Light. Theoretical models are not right or wrong, but more or less useful, and therefore, I use different Electronic Structure Theory methods along with Dynamics Simulations. This project is part of the DFG Transregional Collaborative Research Center TRR234 CataLight, which aims to develop light-driven molecular catalysts in hierarchically structured materials. |
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| Publications |
A Photocatalytically Active Rotaxane Mimicking Photosystem I (submitted), (2026) M. Müßler, M. Semwal, K. P. Zois, L. Blechschmidt, B. M. W. Roberts, A. K. Mengele, L. Zedler, P. A. Hoffmann, L. D. Kapp, M. von Delius, L. González, B. Dietzek-Ivanšić, S. Rau Tailored GAFF Parameters for Pentamethylcyclopentadienyl Rh(I/III) Complexes with α-diimine ligands: Validation and Solvation Studies J. Phys. Chem. B 130, 472–485, (2026), DOI: 10.1021/acs.jpcb.5c07040 R. Jacobi, K. P. Zois, A. Mengele, S. Rau, L. González |