Importance of the gas-phase error correction for O2 when using DFT to model the oxygen reduction and evolution reactions

  1. Sargeant, E.
  2. Illas, F.
  3. Rodríguez, P.
  4. Calle-Vallejo, F.
Revue:
Journal of Electroanalytical Chemistry

ISSN: 1572-6657

Année de publication: 2021

Volumen: 896

Type: Article

DOI: 10.1016/J.JELECHEM.2021.115178 GOOGLE SCHOLAR lock_openAccès ouvert editor
La source de données: Scopus