The potential energy surface of xenon dichloride Academic Article uri icon

abstract

  • Multireference configuration-interaction calculations with the Davidson size-consistency correction are used to calculate the potential energy surface of XeCl2. The van der Waals complex is found to be the most stable species. The linear XeCl2 molecule is bound by 8.0 kcal/mol relative to the dissociated atoms, but is at least 38 kcal/mol less stable than the van der Waals complex. In addition, no stable triangular intermediate is found to exist at this level of calculation. © 1993 American Chemical Society.

altmetric score

  • 3

author list (cited authors)

  • Richardson, N. A., & Hall, M. B.

citation count

  • 2

publication date

  • October 1993