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

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

ISSN: 1477-0520

Year of publication: 2011

Volume: 9

Issue: 3

Pages: 689-700

Type: Article

DOI: 10.1039/C0OB00477D GOOGLE SCHOLAR
Data source: Scopus