Is there still room for parameter free double hybrids? Performances of PBE0-DH and B2PLYP over extended benchmark sets

  1. Bousquet, D.
  2. Brémond, E.
  3. Sancho-García, J.C.
  4. Ciofini, I.
  5. Adamo, C.
Aldizkaria:
Journal of Chemical Theory and Computation

ISSN: 1549-9618,  1549-9626

Argitalpen urtea: 2013

Alea: 9

Zenbakia: 8

Orrialdeak: 3444-3452

Mota: Artikulua

DOI: 10.1021/CT400358F GOOGLE SCHOLAR
Datuen iturria: Scopus