Anisotropy of non-additive energies for interactions in some trimers containing homonuclear molecules

Abstract

The second-order non-additive induction energy for interactions in trimers containing the linear homonuclear molecules H2, N2 and O2 has been computed for two different configurations via expressions recently derived using the MAPLE symbolic computational language. The configurations are a linear, symmetric and an equilateral triangle arrangement of the trimers: H2–H2–H2, N2–N2–N2, O2–O2–O2, N2–N2–O2, N2–H2–O2 and O2–N2–H2. The induction energies are compared with the corresponding triple-dipole dispersion energies for the two different configurations. The significance of these results is also discussed.