https://www.selleckchem.com/pr....oducts/msdc-0160.htm
We use accurate ab initio methodologies at the Coupled Cluster level to compute the stable forms of Al x O y q+ (x = 1, 2; y = 1, 2; q = 0-3) species for which we derive an accurate set of geometrical and vibrational spectroscopic data. We also determine their adiabatic single, double, and triple ionization energies. These spectroscopic and thermodynamical data may help for identifying these species in laboratory, in astrophysical media, and in plasma and confirm previous observations of multi-charged Al x O y clusters by Atom Probe T
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