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Kohn-Sham inversion for open-shell systems.
Erhard J, Trushin E, Görling A. Erhard J, et al. Among authors: gorling a. J Chem Phys. 2025 Jan 21;162(3):034116. doi: 10.1063/5.0239422. J Chem Phys. 2025. PMID: 39817576
Intrinsically Patterned Two-Dimensional Transition Metal Halides.
Xiang F, Bisht N, Da B, Mohammed MSG, Neiss C, Görling A, Maier S. Xiang F, et al. Among authors: gorling a. ACS Nano. 2024 Jul 23;18(29):18870-18879. doi: 10.1021/acsnano.3c09580. Epub 2024 Jul 13. ACS Nano. 2024. PMID: 39001861
Accurate NMR Shieldings with σ-Functionals.
Fauser S, Drontschenko V, Ochsenfeld C, Görling A. Fauser S, et al. Among authors: gorling a. J Chem Theory Comput. 2024 Jul 23;20(14):6028-6036. doi: 10.1021/acs.jctc.4c00512. Epub 2024 Jul 5. J Chem Theory Comput. 2024. PMID: 38967385
166 results