A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in Electrocatalysis

  1. Granda-Marulanda, L.P.
  2. Rendón-Calle, A.
  3. Builes, S.
  4. Illas, F.
  5. Koper, M.T.M.
  6. Calle-Vallejo, F.
Journal:
ACS Catalysis

ISSN: 2155-5435

Year of publication: 2020

Volume: 10

Issue: 12

Pages: 6900-6907

Type: Article

DOI: 10.1021/ACSCATAL.0C01075 GOOGLE SCHOLAR
Data source: Scopus