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Lion Frangoulis

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Sep 2026

Maximizing the Magnetic Anisotropy of Dy Complexes by Fine-Tuning Organic Ligands: A Systematic Multireference High-Throughput Exploration of over 25k Molecules

The design of the coordination environment of magnetic ions is key to achieving properties such as large magnetic anisotropy and slow magnetic relaxation, but a systematic exploration of the relevant chemical space for these compounds is missing. Here, we automatically extract all entries of mononuclear Dy coordinati...

Lion Frangoulis, Lorenzo A. Mariano, Vu Ha Anh Nguyen et al. · 0 citations

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