Molecular dynamics study of orientational order and rotational melting in clusters of TeF6
β Scribed by Shimin Xu; Lawrence S. Bartell
- Book ID
- 105192987
- Publisher
- Springer
- Year
- 1994
- Tongue
- English
- Weight
- 860 KB
- Volume
- 31
- Category
- Article
- ISSN
- 1434-6060
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π SIMILAR VOLUMES
## Abstract The structural changes of three Cu clusters containing 51β53 atoms during their melting processes have been studied by employing molecular dynamics simulations. The local structures in the atomic density shells are presented according to the pair index of Honeycutt and Andersen. Structu
## Abstract BornβOppenheimer molecular dynamics is implemented in the semiempirical selfβconsistent field molecular orbital method MSINDO. The method is employed for the investigation of the structure and dynamics of silicon clusters of various sizes. The reliability of the present parameterization