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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 35(21), p. 19092-19103, 2019

DOI: 10.1039/c9cp03211h

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Statistically representative databases for density functional theory via data science

Journal article published in 2019 by Pierpaolo Morgante ORCID, Roberto Peverati ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Cluster analysis applied to quantum chemistry: a new broad database of chemical properties with a reasonable computational cost.