Lee, E. P. F., Gamblin, S. D. and Wright, T. G.
The interaction energies of the Rg.NO+ cationic complexes: Rn.NO+
Chemical Physics Letters, 322, (5), . (doi:10.1016/S0009-2614(00)00430-9).
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The equilibrium geometry and harmonic vibrational frequencies of Rn . NO+ are calculated at the QCISD level of theory, employing an effective core potential augmented by a large, flexible diffuse and polarization valence space. The interaction energy is then calculated at the CCSD(T) level using a larger basis set based on a different ECP. The trends in the bonding in the Rg . NO+ complexes (Rg = rare gas) are then noted, and it is confirmed that the major interaction in these species is the charge/induced-dipole interaction.
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