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.

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