Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach

  1. Zapata, F.
  2. Nucci, M.
  3. Castaño, O.
  4. Marazzi, M.
  5. Frutos, L.M.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626,  1549-9618

Year of publication: 2021

Volume: 17

Issue: 9

Pages: 5429-5439

Type: Article

DOI: 10.1021/ACS.JCTC.1C00291 GOOGLE SCHOLAR

Sustainable development goals

Data source: Scopus