Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
Since it became possible to study experimentally the evolution of a metal and the transition from atomic and molecular to surface and bulk properties, the study of clusters, especially metal clusters due to their role in heterogeneous catalysis, represents a highly active research area. On the other hand, clusters serve also as very useful models in solid state physics to investigate impurity, surface, and interface problems. Both cluster aspects will be discussed in addition to the role of cluster calculations in aperiodic polymer and band structure computations. We also report results of Li-cluster studies. Correlation effects, calculated with the coupled cluster method, are discussed in connection with the onset of Pierls' distortion in Li-rings. Finally, it is demonstrated how the cluster model is used to investigate polymer-metal surface interactions and how these interactions influence and change the polymer conformation.
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