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Multireference calculations on bond dissociation and biradical polycyclic aromatic hydrocarbons as guidance for fractional occupation number weighted density analysis in DFT calculations

Crossref DOI link: https://doi.org/10.1007/s00214-024-03143-8

Published Online: 2024-09-27

Published Print: 2024-10

Update policy: https://doi.org/10.1007/springer_crossmark_policy

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