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

Harold Basch, Mark A. Ratner

Research output: Contribution to journalArticle

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

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ASJC Scopus subject areas

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

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