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Collaborations and top research areas from the last five years
Publications
- 3 Article
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Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters
Lechner, P., Ganguly, G., Sahre, M. J., Kresse, G., Dietschreit, J. C. B. (Corresponding author) & González, L. (Corresponding author), 6 Oct 2025, In: Angewandte Chemie - International Edition. 64, 41, e202514014.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Transferability of atomic energies from alchemical decomposition
Sahre, M. J., von Rudorff, G. F., Marquetand, P. & von Lilienfeld, O. A. (Corresponding author), 7 Feb 2024, In: Journal of Chemical Physics. 160, 5, 054106.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Quantum Alchemy Based Bonding Trends and Their Link to Hammett’s Equation and Pauling’s Electronegativity Model
Sahre, M. J., von Rudorff, G. F. & von Lilienfeld, O. A. (Corresponding author), 15 Mar 2023, In: Journal of the American Chemical Society. 145, 10, p. 5899-5908 10 p.Publications: Contribution to journal › Article › Peer Reviewed
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Influence of spin frustration on the stability and reactivity of triangular Fe(III) MOFs
Lechner, P. (Speaker), Sun, F. (Contributor), Ganguly, G. (Contributor), Sahre, M. (Contributor), Kresse, G. (Contributor), Dietschreit, J. (Contributor) & Gonzalez Herrero, L. (Contributor)
27 Oct 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science
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Modelling of excited states with restricted open shell DFT in VASP
Sahre, M. (Speaker), Kresse, G. (Contributor) & Marsman, M. (Contributor)
27 Oct 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science
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Spin Frustration: A Key to Stability and Reactivity in Triangular Fe(III) Metal–Organic Frameworks
Lechner, P. (Speaker), Ganguly, G. (Contributor), Sahre, M. (Contributor), Kresse, G. (Contributor), Dietschreit, J. (Contributor) & Gonzalez Herrero, L. (Contributor)
25 Sept 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science