• Title of article

    Does a cooperative mechanism explain the unusually large gas-solid structure differences found for HCN…BF3?

  • Author/Authors

    Iglesias، نويسنده , , E. and Sordo، نويسنده , , T.L. and Sordo، نويسنده , , J.A.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1996
  • Pages
    3
  • From page
    179
  • To page
    181
  • Abstract
    Ab initio calculations, at the MP2/6-31G∗∗ level, suggest that a cooperative mechanism seems to play an important, though not decisive, role in explaining the short B-N distance and the large out-of-plane distortion of the BF3 in the HCN…BF3 crystal.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1996
  • Journal title
    Chemical Physics Letters
  • Record number

    1775673

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1775673