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.
Journal:
Journal of Computational Chemistry

ISSN: 0192-8651 1096-987X

Year of publication: 2012

Volume: 33

Issue: 32

Pages: 2533-2543

Type: Article

DOI: 10.1002/JCC.23090 GOOGLE SCHOLAR

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