• Title of article

    How strong are the complexes between methane radical cation and noble gas atoms?

  • Author/Authors

    Alkorta، نويسنده , , Ibon and Rozas، نويسنده , , Isabel and Elguero، نويسنده , , José، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1999
  • Pages
    11
  • From page
    281
  • To page
    291
  • Abstract
    This article studies the interaction the methane radical cation (C2v) with noble gas atoms (He, Ne, Ar, and Kr). A number of stationary points, between 5 and 7, have been located depending on the interacting noble gas atom. MP2, MP4 and CCSD-T computational levels with the 6-311++G(d,p) and 6-311++G(2d,2p) basis sets have been used. The minima show different characteristics depending on the interacting hydrogen atom, similar to hydrogen-bonded or van der Waals complexes. The transition states obtained indicate an easy transfer between the symmetrical and non-symmetrical complexes.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1999
  • Journal title
    Chemical Physics Letters
  • Record number

    1779437