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Exact and approximate eigenvalues and intrinsic functions for the Gaussian chain theory

✍ Scribed by G.B. Thurston

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
310 KB
Volume
15
Category
Article
ISSN
0032-3861

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πŸ“œ SIMILAR VOLUMES

The relative performance of the local de
The relative performance of the local density approximation and gradient-corrected density functional theory for computing metal–ligand distances in Werner-type and organometallic complexes
✍ Mark R. Bray; Robert J. Deeth; Veronica J. Paget; Paul D. Sheen πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 157 KB πŸ‘ 2 views

Optimized metal᎐ligand M᎐L bond lengths for 17 classical Werner-type transition-metal Ž . complexes were calculated using the local density approximation LDA and a gradient-Ž . ## corrected GC extension. GCs lengthen the bonds by between 0.02 and 0.09 A relative to ˚the LDA results. The latter ran