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We investigate the longitudinal static second hyperpolarizabilities (γ) of several square planar nickel, palladium and platinum complexes involving two bidentate o-semiquinonato type ligands. It turns out that the diradical character and γ value of this type of complex can be controlled by modifying the donor atoms and the metal core.
The longitudinal static second hyperpolarizabilities (γ) of one-dimensional open-shell singlet diphenalenyl radical clusters (up to trimer) are investigated using the spin-unrestricted hybrid density functional theory, UBHandHLYP, method. The longitudinal γ values per monomer for these clusters are found to significantly increase with increasing the number of monomers: the increase ratio [γ/n(n-mer)/γ(monomer)]...
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