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
- Lopez, X.
- Ruipérez, F.
- Piris, M.
- Matxain, J.M.
- Matito, E.
- Ugalde, J.M.
ISSN: 1549-9618, 1549-9626
Datum der Publikation: 2012
Ausgabe: 8
Nummer: 8
Seiten: 2646-2652
Art: Artikel