Computing Anharmonic Infrared Spectra of Polycyclic Aromatic Hydrocarbons Using Machine-Learning Molecular Dynamics
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arXiv
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| Main Authors: | Mai, Xinghong, Wang, Zhao, Pan, Lijun, Schorghuber, Johannes, Kovacs, Peter, Carrete, Jesus, Madsen, Georg K. H. |
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| Format: | Preprint |
| Published: |
2025
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