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Using quantum chemistry calculations, we have explored the physical properties of three tetracoordinate dianions, Ni(CN)42-, Cr(SCN)42-, and Cu(N3)42-, and find that the electronic and geometrical stabilities are in qualitative accordance with previous experimental findings. Density functional theory reproduces results for Ni(CN)42- obtained by more elaborate coupled cluster calculations. At the B3LYP/6-311++G(3d,2p)//B3LYP/6-31+G(d,p)...
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