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Density functional calculations of the properties of silicon-substituted hydroxyapatite

✍ Scribed by H. F. Chappell; P. D. Bristowe


Book ID
106399037
Publisher
Springer
Year
2006
Tongue
English
Weight
296 KB
Volume
18
Category
Article
ISSN
0957-4530

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Properties and structure of small cobalt
✍ P. MΕ‚ynarski; M. Iglesias; M. Pereiro; D. Baldomir; L. Wojtczak πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 287 KB

The results of self-consistent nonlocal (GGA) density functional calculations are reported for small cobalt clusters (n)6;13). An emphasis is made on a proper treatment of correlation effects. The magnetic as well as the bonding properties of these clusters are discussed in terms of a delicate balan