On the electronic structures and s/p-orbital aromaticity in the Hg3Al3+/−, Hg3Al3Li, and Hg3Al3Be+ clusters
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DOI: 10.1016/j.comptc.2017.03.010
Abstract: Abstract The equilibrium geometries, harmonic vibrational frequencies, stabilities, and chemical bonding of the low-lying states for all-metal Hg3Al3+/−, Hg3Al3Li, and Hg3Al3Be+ clusters are investigated using 2nd order Moller–Plesset perturbation theory. The extensive search for the… read more here.
Keywords: aromaticity; hg3al3 hg3al3li; hg3al3li hg3al3be; hg3al3be ... See more keywords