• Title of article

    Structural properties of metal-benzene, Mn(benzene)m, M=Ni, V complexes: an ab initio study

  • Author/Authors

    Froudakis، نويسنده , , George E and Andriotis، نويسنده , , Antonis N. and Menon، نويسنده , , Madhu، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    6
  • From page
    393
  • To page
    398
  • Abstract
    Interactions of Ni and V with benzene (Bz)-molecules are investigated using ab initio methods and tight-binding molecular dynamics (TBMD) simulations. The differences in the behavior for Ni and V is found to be consistent with their similar contrasting bonding behavior found in interactions with graphite, C60 and carbon nanotubes.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2001
  • Journal title
    Chemical Physics Letters
  • Record number

    1778928

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1778928