Supramolecular junctions of the PDA tetramers

In this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the IQ and DHI moeities; Electron Localization Function maps showing localized electrons in IQ and DHI; Transmission pathways at the Fermi level for IQ and -0.5 eV below Fermi level for DHI; Projected local density of states plots of IQ and DHI.