Density functional study of 8- and 11-vertex polyhedral borane structures: comparison with bare germanium clusters

R B King1, I Silaghi-Dumitrescu, A Lupan

  • 1Department of Chemistry, University of Georgia, Athens, 30602, USA. rbking@sunchem.chem.uga.edu

Inorganic Chemistry
|October 26, 2005
PubMed
Summary

This study compares polyhedral boranes and germanium clusters using Density Functional Theory (DFT). Boranes exhibit larger energy differences between structures, with lowest energy forms aligning with Wade-Mingos rules, unlike germanium clusters.

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