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Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3551-1
Abstract: AbstractThe structures and stabilities of 2,2′-diBeX-1,1′-biphenyl (X = H, F, Cl, CN) derivatives and their affinities for F−, Cl−, and CN− were theoretically investigated using a B3LYP/6–311 + G(3df,2p)//B3LYP/6–31 + G(d,p) model. The results obtained show that the 2,2′-diBeX-1,1′-biphenyl derivatives (X = H,…
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Keywords:
anion;
biphenyl derivatives;
dibex biphenyl;
beryllium containing ... See more keywords