Tuning pyrrole oligomers for optoelectronic and anti-corrosion applications: a DFT/TDDFT study
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DOI: 10.1007/s00214-020-02690-0
Abstract: The determination of optoelectronic properties for 15 pyrrole oligomers tagged with different donor and acceptor groups and their potential anti-corrosion properties were considered. Density functional theory and time-dependent density functional theory (DFT/TDDFT) calculations have been… read more here.
Keywords: dft tddft; study; anti corrosion; corrosion ... See more keywords