Maho Nakata

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 3

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Maho Nakata, Toshiyuki Maeda
PubChemQC B3LYP/6-31G*//PM6 Data Set: The Electronic Structures of 86 Million Molecules Using B3LYP/6-31G* Calculations. Journal of chemical information and modeling (2023)
Maho Nakata, Tomomi Shimazaki, Masatomo Hashimoto, Toshiyuki Maeda
PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties. Journal of chemical information and modeling 60 (12) (2020)
Maho Nakata, Tomomi Shimazaki
PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry. Journal of chemical information and modeling 57 (6) (2017)