Chemical reactivity studies by the natural orbital functional second-order Møller–Plesset (NOF-MP2) method: water dehydrogenation by the scandium cation

  1. Mercero, J.M.
  2. Ugalde, J.M.
  3. Piris, M.
Journal:
Theoretical Chemistry Accounts

ISSN: 1432-2234 1432-881X

Year of publication: 2021

Volume: 140

Issue: 6

Type: Article

DOI: 10.1007/S00214-021-02775-4 GOOGLE SCHOLAR