Aniline Trimers Frontier Orbitals:
Figure 5 - Molecular structure of emeraldine trimer, optimized at B3LYP/6-31G(d). Carbon atoms are black, nitrogen atoms are grey, and hydrogen atoms have been omitted for clarity.
Figure 6 - Molecular structure of emeraldine trimer, optimized at B3LYP/6-31G(d). Carbon atoms are black, nitrogen atoms are grey, and hydrogen atoms have been omitted for clarity.
pernigraniline HOMO's and LUMO's
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