A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units

  1. Ferro-Costas, D.
  2. Otero, N.
  3. Graña, A.M.
  4. Mosquera, R.A.
Zeitschrift:
Journal of Computational Chemistry

ISSN: 0192-8651 1096-987X

Datum der Publikation: 2012

Ausgabe: 33

Nummer: 32

Seiten: 2533-2543

Art: Artikel

DOI: 10.1002/JCC.23090 GOOGLE SCHOLAR