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.
Zeitschrift:
Journal of Physical Chemistry A

ISSN: 1089-5639

Datum der Publikation: 2005

Ausgabe: 109

Nummer: 38

Seiten: 8624-8631

Art: Artikel

DOI: 10.1021/JP051953S GOOGLE SCHOLAR