Correction to: Nature Chemistry https://doi.org/10.1038/s41557-020-0477-5, published online 18 May 2020.

In the version of this Comment originally published, author François-Xavier Coudert was incorrectly given an additional affiliation. The correct affiliation for the author is ‘Chimie ParisTech, PSL University, CNRS, Institut de Recherche de Chimie Paris, Paris, France’. This has been corrected in online versions of this Comment.