Maho Nakata
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3CO-AUTHORS
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Publications (3)
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|Sep 07, 2023
PubChemQC B3LYP/6-31G*//PM6 Data Set: The Electronic Structures of 86 Million Molecules Using B3LYP/6-31G* Calculations.Maho Nakata, Toshiyuki Maeda
|Oct 26, 2020
PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties.Maho Nakata, Tomomi Shimazaki, Masatomo Hashimoto
|May 09, 2017
PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.Maho Nakata, Tomomi Shimazaki
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