Natural orbital functional theory and reactivity studies of diradical rearrangements: Ethylene torsion as a case study

  1. Lopez, X.
  2. Piris, M.
  3. Matxain, J.M.
  4. Ruipérez, F.
  5. Ugalde, J.M.
Revue:
ChemPhysChem

ISSN: 1439-7641 1439-4235

Année de publication: 2011

Volumen: 12

Número: 9

Pages: 1673-1676

Type: Article

DOI: 10.1002/CPHC.201100190 GOOGLE SCHOLAR