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Polypernigraniline is the only polyaniline to possess a doubly degenerate ground state. In the present work using density functional theory (DFT) calculations, the structural, vibrational and electronic properties of two well-known model compounds of polyaniline pernigraniline have been investigated. A detailed vibrational analysis of phenyl-end-capped dimer (B2Q1) and phenyl-end-capped tetramer (B3Q2)...
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