Accurate treatment of large supramolecular complexes by double-hybrid density functionals coupled with nonlocal van der waals corrections

  1. Calbo, J.
  2. Ortí, E.
  3. Sancho-García, J.C.
  4. Aragó, J.
Revue:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Année de publication: 2015

Volumen: 11

Número: 3

Pages: 932-939

Type: Article

DOI: 10.1021/ACS.JCTC.5B00002 GOOGLE SCHOLAR

Objectifs de Développement Durable