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Better performance of Hartree–Fock over DFT: a quantum mechanical investigation on pyridinium benzimidazolate types of zwitterions in the light of localization/delocalization issues

Crossref DOI link: https://doi.org/10.1007/s00894-023-05706-1

Published Online: 2023-09-13

Published Print: 2023-10

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

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