"PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular ..."

Maho Nakata et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00740

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type: Journal Article

metadata version: 2021-09-01

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Maho Nakata, Tomomi Shimazaki, Masatomo Hashimoto, Toshiyuki Maeda:
PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties. J. Chem. Inf. Model. 60(12): 5891-5899 (2020)

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