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Machine-learned density functional based quantum chemical computations for ethane: performance of DeepMind 21 on potential energy surface and molecular properties

Crossref DOI link: https://doi.org/10.1007/s00894-025-06451-3

Published Online: 2025-09-25

Published Print: 2025-10

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

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