Joint QTAIM and Hirshfeld study of the σ and π charge distribution and electron delocalization in carbonyl compounds: A comparative study with the resonance model

  1. Mandado, M.
  2. Van Alsenoy, C.
  3. Mosquera, R.A.
Revista:
Journal of Physical Chemistry A

ISSN: 1089-5639

Any de publicació: 2005

Volum: 109

Número: 38

Pàgines: 8624-8631

Tipus: Article

DOI: 10.1021/JP051953S GOOGLE SCHOLAR