## Abstract The behaviors of a large number of GGA, meta‐GGA, and hybrid‐GGA density functionals in describing the spin‐state energetics of iron porphyrins and related compounds have been investigated. There is a large variation in performance between the various functionals for the calculations of
✦ LIBER ✦
Comment on “Assessment and Validation of Density Functional Approximations for Iron Carbide and Iron Carbide Cation”
✍ Scribed by Fishtik, Ilie
- Book ID
- 120270152
- Publisher
- American Chemical Society
- Year
- 2013
- Tongue
- English
- Weight
- 530 KB
- Volume
- 117
- Category
- Article
- ISSN
- 1089-5639
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