Computational raw data for "One-Step Access to Ultra-Bright Macrocyclic Oligo-BODIPYs Featuring Long-Lived Cyclic Excitons"

Zenodo (CERN European Organization for Nuclear Research)

Abstract

Computational raw data, including the local minimum structures for the oligomers (unfolded conformations) and the snapshots from MD trajectories, along withoutputs from the sTD-DFT calculations. See preprint at: https://doi.org/10.26434/chemrxiv.15005926/v1

Authors 3

1. Mike Pauls Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

2. Nils van Staalduinen Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University

3. Christoph Bannwarth Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University