Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Cu Complexes
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Heats of formation for nine complexes of the form CuX(n) (X = Cu, H, O, OH, S, F, F(2), Cl, Cl(2)) were calculated using the CCSD and CCSD(T) coupled cluster methods with the 6-31G** and TZVP basis sets as well as the LANL2DZ basis set/pseudopotential on Cu wi... ...
