TY  - RPRT
TI  - Quantum mechanical dataset of 836k neutral closed-shell molecules with up to 5 heavy atoms from C, N, O, F, Si, P, S, Cl, Br
AU  - Khan, Danish
AU  - Benali, Anouar
AU  - Kim, Scott
AU  - von Rudorff, Guido
AU  - von Lilienfeld, O.
PY  - 2025
DO  - 10.1038/s41597-025-05428-4
UR  - https://www.osti.gov/biblio/3675911
ID  - 3675911
ER  -