✦ LIBER ✦
The metal to ring distance of ferrocene as determined by ab initio mo scf calculations
✍ Scribed by Hans Peter Lüthi; John Ammeter; Jan Almlöf; Knut Korsell
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 250 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Ab initio MO SCF calcuI.ations have been performed for ferrocene, both on the minimal basis level and with a doublezeta basis The optimized metal-ring distance was found to be 1 9 bin both cases, in remarkable contrast to the euperimental value of 165 A.