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"Emin: A First-Principles Thermochemical Descriptor for ..."

Andrew S. Lee et al. (2024)

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DOI: 10.1021/ACS.JCIM.3C01583

access: closed

type: Journal Article

metadata version: 2024-04-01

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Andrew S. Lee, Sarah Elliott, Hassan Harb, Logan T. Ward, Ian T. Foster, Larry A. Curtiss, Rajeev S. Assary:
E_min: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. J. Chem. Inf. Model. 64(4): 1277-1289 (2024)

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