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Spectral moments and walks for large carbon cage clusters
โ Scribed by K. Balasubramanian
- Book ID
- 103026769
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 481 KB
- Volume
- 175
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
Spectral moments and walks for two forms of the Cso cluster (football form and hand form) as well as a form of ClzO cluster are obtained. It is shown that spectral moments and other topological characteristics of these clusters can be readily obtained using vector&d computer codes.
๐ SIMILAR VOLUMES
Ab initio calculations, typically at the MPZ/DZP level, have in several cases shown that cage structures ofthe fullerene type are energetically favored over cyclic geometries. As this appears to be at variance with experimental findings, it is of interest to investigate whether the MPZ/DZP procedure