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A diagnostic analysis of B3LYP thermochemical errors: physical origins, system dependence, and practical implications

Crossref DOI link: https://doi.org/10.1007/s00894-026-06769-6

Published Online: 2026-05-12

Published Print: 2026-06

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

Authors

Hadi, Hayder M. https://orcid.org/0009-0006-4229-6884
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Text and Data Mining valid from 2026-05-12

Version of Record valid from 2026-05-12
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Article History

Received: 7 February 2026

Accepted: 4 May 2026

First Online: 12 May 2026

Declarations

:

: The authors declare no competing interests.