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.
Revue:
Journal of Chemical Theory and Computation

ISSN: 1549-9626,  1549-9618

Année de publication: 2021

Volumen: 17

Número: 9

Pages: 5429-5439

Type: Article

DOI: 10.1021/ACS.JCTC.1C00291 GOOGLE SCHOLAR
La source de données: Scopus