Valence in chemisorption studies

In the spirit of Coulson's Valence, large-scale ab initio computations on chemisorption problems are revisited. Cluster calculations which model the interactions of halogen atoms with the silicon surface are reviewed and compared to the interaction of atomic hydrogen on the same surface. A rich...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1992-07, Vol.260, p.339-345
Main Author: Seel, Max
Format: Article
Language:English
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Summary:In the spirit of Coulson's Valence, large-scale ab initio computations on chemisorption problems are revisited. Cluster calculations which model the interactions of halogen atoms with the silicon surface are reviewed and compared to the interaction of atomic hydrogen on the same surface. A rich structure in bonding mechanisms is revealed. They range from ionic to covalent wavefunctions and exhibit the “primitive pattern of understanding” Coulson so strongly believed in.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(92)87054-4