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
- Atomic and Molecular Physics, and Optics
Cite this
Binding at molecule/gold transport interfaces. I. Geometry and bonding. / Basch, Harold; Ratner, Mark A.
In: Journal of Chemical Physics, Vol. 119, No. 22, 08.12.2003, p. 11926-11942.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Binding at molecule/gold transport interfaces. I. Geometry and bonding
AU - Basch, Harold
AU - Ratner, Mark A
PY - 2003/12/8
Y1 - 2003/12/8
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0347228956&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0347228956&partnerID=8YFLogxK
U2 - 10.1063/1.1613941
DO - 10.1063/1.1613941
M3 - Article
AN - SCOPUS:0347228956
VL - 119
SP - 11926
EP - 11942
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 22
ER -