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Decoding the signatures of chromophore–solvent interactions in infrared spectroscopy with machine learning: insights from a hybrid density-functional theory/molecular mechanics dynamics model

Crossref DOI link: https://doi.org/10.1007/s00214-025-03235-z

Published Online: 2025-09-17

Published Print: 2025-10

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

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