How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals

  1. Simón, L.
  2. Goodman, J.M.
Aldizkaria:
Organic and Biomolecular Chemistry

ISSN: 1477-0520

Argitalpen urtea: 2011

Alea: 9

Zenbakia: 3

Orrialdeak: 689-700

Mota: Artikulua

DOI: 10.1039/C0OB00477D GOOGLE SCHOLAR
Datuen iturria: Scopus