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  1. No Access

    Article

    A Density Functional Investigation of Geometrical and Electronic Structures, Charge Transfer, and Photoluminescent Property of a Zinc(II) Complex with 5-Amino-2-(1H-Benzoimidazol-2-yl)-Phenol

    In this paper the results of DFT/TDDFT-based theoretical calculations of an electroluminescent zinc(II) chelate complex with 5-amino-2-(1H-benzoimidazol-2-yl)-phenol (HL), namely [ZnL2] (1), are presented. The mo...

    Y.-P. Tong, Y.-W. Lin, H. Liu in Journal of Structural Chemistry (2018)

  2. No Access

    Article

    Electronic structure, charge transfer character and spectroscopic property of electroluminescent/photoluminescent [ZnL2] (HL = 2-(1H-benzo[d]imidazol-2-yl)-4-bromophenol) studied by density functional theory

    In this paper the DFT-/TDDFT-based theoretical calculation results of the electroluminescence/photoluminescence zinc(II) chelate complex [ZnL2] are presented, including the molecular geometry, electronic structur...

    Y. -P. Tong, Z. **, Y. -W. Lin in Journal of Structural Chemistry (2015)