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A comparative assessment of density functional approximations for inner reorganization energy: insights from small molecules models with varying degrees of charge delocalization

Crossref DOI link: https://doi.org/10.1007/s00214-025-03187-4

Published Online: 2025-05-16

Published Print: 2025-06

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

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