Supplementary material for "When Bonds Resist Rotation: Automated Classification and Representation of Atropisomers in the MolBar Identifier"

Zenodo (CERN European Organization for Nuclear Research)

Abstract

Raw data, codes, and analysis for the employed models as used in the manuscript (https://doi.org/10.26434/chemrxiv.15000699/v1)

Authors 2

1. Nils van Staalduinen Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

2. Christoph Bannwarth Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University