Quantum mechanical dataset of 836k neutral closed shell molecules with upto 5 heavy atoms from CNOFSiPSClBr

Fuente: arXiv

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Bibliographic Details
Main Authors:	Khan, Danish, Benali, Anouar, Kim, Scott Y. H., von Rudorff, Guido Falk, von Lilienfeld, O. Anatole
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2405.05961