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.
Revista:
Journal of Computational Chemistry

ISSN: 0192-8651,  1096-987X

Ano de publicación: 2012

Volume: 33

Número: 32

Páxinas: 2533-2543

Tipo: Artigo

DOI: 10.1002/JCC.23090 GOOGLE SCHOLAR
Fonte de datos: Scopus