Nonadditive Interactions in Trimers Containing H2, N2, and O2

Abstract

A study comparing the magnitudes of the second-order nonadditive induction energy and the nonadditive triple-dipole dispersion energy for interactions in trimers containing the linear homonuclear molecules H2, N2, and O2 has been undertaken. 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, and O2−N2−H2. The observed trends are discussed.