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    Ligand Substitution Effect on Optical Properties in Conducting Tetraazaporphyrines

    Self-consistent Density Functional calculations have been performed on a variety of planar conjugated Ni-centered macrocycles with a basic tetraazaporphyrinic core and dithiolene groups (PZ) or fused-benzo gro...

    Liqun Guo, D. E. Ellis, O. V. Gubanova, B. M. Hoffman in MRS Online Proceedings Library (1995)