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Water: From Clusters to the Bulk

✍ Scribed by Ralf Ludwig

Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
443 KB
Volume
40
Category
Article
ISSN
0044-8249

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Convergence from clusters to the bulk so
Convergence from clusters to the bulk solid: Ab initio calculations of (MgO)x (x=2–16) clusters
✍ Xin LΓΌ; Xin Xu; Nanqin Wang; Qianer Zhang πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 239 KB πŸ‘ 2 views

However, an important question one should answer is to what extent a cluster consisting of only a few atoms behaves similarly to the respective bulk solid. Since the electronic state of a finite cluster may differ significantly from that of the bulk, it is of particular importance to examine the sta