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Evaluating fast methods for static polarizabilities on extended conjugated oligomers.
Phys Chem Chem Phys. 2022 Oct 5;24(38):23173-23181. doi: 10.1039/d2cp02375j.
Phys Chem Chem Phys. 2022.
PMID: 36128891
Deep Learning Coordinate-Free Quantum Chemistry.
Matlock MK, Hoffman M, Dang NL, Folmsbee DL, Langkamp LA, Hutchison GR, Kumar N, Sarullo K, Swamidass SJ.
Matlock MK, et al. Among authors: langkamp la.
J Phys Chem A. 2021 Oct 14;125(40):8978-8986. doi: 10.1021/acs.jpca.1c04462. Epub 2021 Oct 5.
J Phys Chem A. 2021.
PMID: 34609871
Free PMC article.
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