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Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking.
J Chem Phys. 2021 Dec 14;155(22):224109. doi: 10.1063/5.0071796.
J Chem Phys. 2021.
PMID: 34911315
Bond formation insights into the Diels-Alder reaction: A bond perception and self-interaction perspective.
Schulze WT, Schwalbe S, Trepte K, Croy A, Kortus J, Gräfe S.
Schulze WT, et al.
J Chem Phys. 2023 Apr 28;158(16):164102. doi: 10.1063/5.0145555.
J Chem Phys. 2023.
PMID: 37093147
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