Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set

  1. Li, H.
  2. Briccolani-Bandini, L.
  3. Tirri, B.
  4. Cardini, G.
  5. Brémond, E.
  6. Sancho-García, J.C.
  7. Adamo, C.
Revue:
Journal of Physical Chemistry A

ISSN: 1520-5215 1089-5639

Année de publication: 2024

Volumen: 128

Número: 31

Pages: 6581-6592

Type: Article

DOI: 10.1021/ACS.JPCA.4C03007 GOOGLE SCHOLAR