• Title of article

    Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions

  • Author/Authors

    Reilly، نويسنده , , Anthony M. and Wann، نويسنده , , Derek A. and Morrison، نويسنده , , Carole A. and Rankin، نويسنده , , David W.H. Rankin، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2007
  • Pages
    4
  • From page
    61
  • To page
    64
  • Abstract
    Molecular dynamics simulations using plane-wave DFT calculations have been used along with experimental data to determine the equilibrium crystal structure and thermal anisotropic displacements parameters for ND3.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2007
  • Journal title
    Chemical Physics Letters
  • Record number

    1922964

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1922964