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

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Nils van Staalduinen, Christoph Bannwarth
DOI: 10.5281/zenodo.18892913
Cited by: 0

Abstract

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

Fields of Study & Subjects

Axial and Atropisomeric Chirality Synthesis Chemistry and Stereochemistry Studies Molecular spectroscopy and chirality

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
6 March 2026
Language
EN