Performance of PNOF5 natural orbital functional for radical formation reactions: Hydrogen atom abstraction and C-C and O-O homolytic bond cleavage in selected molecules

  1. Lopez, X.
  2. Ruipérez, F.
  3. Piris, M.
  4. Matxain, J.M.
  5. Matito, E.
  6. Ugalde, J.M.
Aldizkaria:
Journal of Chemical Theory and Computation

ISSN: 1549-9618,  1549-9626

Argitalpen urtea: 2012

Alea: 8

Zenbakia: 8

Orrialdeak: 2646-2652

Mota: Artikulua

DOI: 10.1021/CT300414T GOOGLE SCHOLAR
Datuen iturria: Scopus