Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

Summary

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Authors: Yang Yang, Ka Un Lao, David M. Wilkins, Andrea Grisafi, Michele Ceriotti, Robert A. DiStasio

Journal title: Scientific Data

Journal number: 6/1

Journal publisher: Springer

Published year: 2019

DOI identifier: 10.1038/s41597-019-0157-8

ISSN: 2052-4463