Supplementary computational data for the article: "Light-driven Reversible Ring Contraction and Expansion to Modulate Strain, Conformation, and Reactivity"

Zenodo (CERN European Organization for Nuclear Research)

Abstract

Raw data for the computational study on "Light-driven Reversible Ring Contraction and Expansion to Modulate Strain, Conformation, and Reactivity".https://doi.org/10.1016/j.chempr.2026.102947This includes geometry files, input and output files.

Authors 3

1. Denise Schwarz Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

2. Mike Pauls Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

3. Christoph Bannwarth Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University