Abstract
A series of cluster-complexes of the form cluster-molecule-cluster was examined using the DFT-SCF method. The objective was to characterize the cluster-molecule-cluster systems in terms of their geometrical and electronic structural properties. The resultant data were analyzed in detail.
| Original language | English |
|---|---|
| Pages (from-to) | 11926-11942 |
| Number of pages | 17 |
| Journal | Journal of Chemical Physics |
| Volume | 119 |
| Issue number | 22 |
| DOIs | |
| Publication status | Published - Dec 8 2003 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Cite this
Basch, H., & Ratner, M. A. (2003). Binding at molecule/gold transport interfaces. I. Geometry and bonding. Journal of Chemical Physics, 119(22), 11926-11942. https://doi.org/10.1063/1.1613941