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 Computer Sciences, 60(12):5891-5899, 2020. [doi]
@article{NakataSHM20,
title = {PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties},
author = {Maho Nakata and Tomomi Shimazaki and Masatomo Hashimoto and Toshiyuki Maeda},
year = {2020},
doi = {10.1021/acs.jcim.0c00740},
url = {https://doi.org/10.1021/acs.jcim.0c00740},
researchr = {https://researchr.org/publication/NakataSHM20},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {60},
number = {12},
pages = {5891-5899},
}