Structure, dynamics and thermodynamics of small particles and inorganic clusters
β Scribed by D. J. Wales
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 706 KB
- Volume
- 26
- Category
- Article
- ISSN
- 1434-6060
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π SIMILAR VOLUMES
Small Sin and Al, clusters (n = 3-10) were studied with the semiempirical molecular orbital method (MO) method SINDO1. For each n, various structures were optimized to determine the most stable structure. To obtain good qualitative agreement with available ab initio calculations d orbitals had to be
Electronic structures of Pd4 and P t4 clusters are studied using a model potential method in the Hartree-Fock-Xootha scheme. The lowest bound state of Pd4 is 'Bz ruising from (d'0)3d9s, while the ground state of A4 is 7B2, which comes from (ds#. Band structures of the clusters are compared with tllo