https://www.selleckchem.com/pr....oducts/pilaralisib-x
The ccX-nZ series provides lower basis set errors for a given cardinal number or number of basis functions than other existing basis sets. For large systems, the ccX-nZ basis sets can be combined with the standard basis sets by placing the ccX-nZ only on the atoms where core excitations are of interest, but the accuracy of such mixed basis sets appears to be system-dependent.Molecular symmetry is vital to the selection rule of vibrationally resolved electronic transition, particularly when the nuclear dependence of electronic
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