On the effects of the basis set superposition error on the change of QTAIM charges in adduct formation. Application to complexes between morphine and cocaine and their main metabolites

  1. Rincón, D.A.
  2. Cordeiro, M.N.D.S.
  3. Mosquera, R.A.
Zeitschrift:
RSC Advances

ISSN: 2046-2069

Datum der Publikation: 2016

Ausgabe: 6

Nummer: 112

Seiten: 110642-110655

Art: Artikel

DOI: 10.1039/C6RA22736H GOOGLE SCHOLAR