Ab initio calculation of the MgO(100) interaction with He and Ne: A HF + MP2 and HF + MP2(B3LYP) comparison

  1. Martinez-Casado, R.
  2. Mallia, G.
  3. Harrison, N.M.
Revue:
Chemical Communications

ISSN: 1364-548X 1359-7345

Année de publication: 2011

Volumen: 47

Número: 42

Pages: 11630-11632

Type: Article

DOI: 10.1039/C1CC14623H GOOGLE SCHOLAR