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The carbon–carbon bonds in the ground states of C2 and C2H2, at their equilibrium geometries, are compared by analysing the changes in the off‐nucleus magnetic shielding tensor within the space surrounding each of these molecules. A wide range of quantum‐chemical approaches, including full‐valence CASSCF‐GIAO, CCSD(T)‐GIAO and CCSDT‐GIAO, all with the cc‐pVQZ basis set, as well as HF‐GIAO and MP2‐GIAO,...
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