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Density functional calculations on cation-induced changes in the adsorption of sulphur on Ir4 clusters

✍ Scribed by M.A. van Daelen; A.P.J. Jansen; W. Biemolt; R.A. van Santen

Book ID
107736451
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
502 KB
Volume
190
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Effect of surrounding point charges on t
Effect of surrounding point charges on the density functional calculations of NixOx clusters (x = 4–12)
✍ Evgueni B. Kadossov; Karen J. Gaskell; Marjorie A. Langell πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 559 KB

## Abstract Embedded Ni__~x~__O__~x~__ clusters (__x__ = 4–12) have been studied by the density‐functional method using compensating point charges of variable magnitude to calculate the ionic charge, bulk modulus, and lattice binding energy. The computations were found to be strongly dependent on t