"Predicting HOMO-LUMO Gaps Using Hartree-Fock Calculated Data and Machine ..."

Md Mehedi Hasan et al. (2025)

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DOI: 10.1021/ACS.JCIM.5C01412

access: closed

type: Journal Article

metadata version: 2025-11-09

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Md Mehedi Hasan, Omid Tarkhaneh, Sharene D. Bungay, Raymond A. Poirier, Shahidul M. Islam:
Predicting HOMO-LUMO Gaps Using Hartree-Fock Calculated Data and Machine Learning Models. J. Chem. Inf. Model. 65(18): 9497-9515 (2025)

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