Published January 26, 2024 | Version v1
Dataset Open

Collective Strong Coupling Modifies Aggregation and Solvation - Dataset

Authors/Creators

  • 1. ROR icon Norwegian University of Science and Technology

Contributors

Data collector:

Project member:

  • 1. ROR icon Norwegian University of Science and Technology
  • 2. ROR icon University of Perugia
  • 3. ROR icon Chalmers University of Technology

Description

Dataset to complement "Collective Strong Coupling Modifies Aggregation and Solvation" - includes output and cube files obtained using the eT program, an open source electronic (and molecular-polaritonic) structure program.

See the paper at https://doi.org/10.1021/acs.jpclett.3c03506

Files

data_hydrogens_(QED-)CC.zip

Files (2.5 GB)

Name Size
md5:de59cc30a25a39561374ae915dc546b8
1.1 GB Preview Download
md5:06bdaf1c014586e64130411dd0cd7d48
1.4 GB Preview Download

Additional details

Related works

Is supplement to
arXiv:2312.08814 (arXiv)
10.1021/acs.jpclett.3c03506 (DOI)

References

  • Castagnola, Matteo, Tor S. Haugland, Enrico Ronca, Henrik Koch, and Christian Schäfer. "Collective strong coupling modifies aggregation and solvation." arXiv preprint arXiv:2312.08814 (2023).
  • Castagnola, M., Haugland, T. S., Ronca, E., Koch, H., & Schäfer, C. (2023). Collective strong coupling modifies aggregation and solvation. The Journal of Physical Chemistry Letters, 15, 1428-1434.