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Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large molecules

Crossref DOI link: https://doi.org/10.1038/s41467-025-64104-8

Published Online: 2025-10-14

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

Authors

Schäfer, Tobias https://orcid.org/0000-0003-0716-6516
Irmler, Andreas https://orcid.org/0000-0003-0525-7772
Gallo, Alejandro https://orcid.org/0000-0002-3744-4161
Grüneis, Andreas https://orcid.org/0000-0002-4984-7785
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Text and Data Mining valid from 2025-10-14

Version of Record valid from 2025-10-14
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Article History

Received: 25 November 2024

Accepted: 4 September 2025

First Online: 14 October 2025

Competing interests

: The authors declare no competing interests.