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

Harold Basch*, Mark A. Ratner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

73 Scopus citations

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 languageEnglish (US)
Pages (from-to)11926-11942
Number of pages17
JournalJournal of Chemical Physics
Volume119
Issue number22
DOIs
StatePublished - Dec 8 2003

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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