✦ LIBER ✦
Erratum to “Fundamental properties of small molecule models of Fe-only hydrogenase: computations relative to the definition of an entatic state in the active site” [Coord. Chem. Rev. 238/239 (2003) 255-266]
✍ Scribed by Irene P. Georgakaki; Lisa M. Thomson; Erica J. Lyon; Michael B. Hall; Marcetta Y. Darensbourg
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 31 KB
- Volume
- 249
- Category
- Article
- ISSN
- 0010-8545
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✦ Synopsis
The senior computational author (MBH) regrets that an undetected coding error resulted in errors for the overall exothermicity of the reactions reported in this paper. This error is purely numerical and does not affect the qualitative aspects or the chemistry reported and discussed in this paper. The following corrections should be noted.
- In Fig. 5 the final relative energy of species 5a-Na should be -5.65 kcal mol -1 . 2. In Fig. 6 the final relative energy of species 10 should be 6.57 kcal mol -1 . 3. On page 265, column 1, line 10. The sentence should read "Compared with intermediate 3, the monosubstituted complex 5a-Na is 8.10 kcal mol -1 more stable".