Binding at molecule/gold transport interfaces. I. Geometry and bonding

Harold Basch; Mark A. Ratner

doi:10.1063/1.1613941

Binding at molecule/gold transport interfaces. I. Geometry and bonding

Harold Basch, Mark A. Ratner

Northwestern University

Research output: Contribution to journal › Article › peer-review

70 Citations (Scopus)

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	https://doi.org/10.1063/1.1613941
Publication status	Published - Dec 8 2003

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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