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

Harold Basch, Mark A. Ratner

Research output: Contribution to journalArticle

70 Citations (Scopus)


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
Issue number22
Publication statusPublished - Dec 8 2003


ASJC Scopus subject areas

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

Cite this