Bonding modes in bis(benzene)beryllium(0): A density functional and Møller-Plesset computational investigation
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DOI: 10.1016/j.ica.2017.03.029
Abstract: Abstract Density functional calculations at the B3LYP/6-311+G ∗∗ and ωB97X-D/6-311+G ∗∗ levels of theory and Moller-Plesset calculations at the MP2/6-311+G ∗∗ level of theory predict that bis(benzene)beryllium(0) may adopt three different structures: syn - and… read more here.
Keywords: bis benzene; benzene beryllium; density functional; beryllium ... See more keywords