How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals
- Simón, L.
- Goodman, J.M.
ISSN: 1477-0520
Année de publication: 2011
Volumen: 9
Número: 3
Pages: 689-700
Type: Article
Revue:
Organic and Biomolecular Chemistry