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Table 3:

Position (in cm-1) of the strongest band in the 6.2 $\mu $m region for coronene.

Calc1 (Exp)
PAH+ 1555 (1533)
H+PAH 1591 (1588)
PANH+ 1548 (...)
H+PANH 1597 (...)

Notes. (1) Frequencies calculated at the B3LYP/6-311G(d, p) level and scaled by 0.9679.

Source LaTeX | All tables | In the text

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