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posted on 2024-06-03, 04:06 authored by Vincent Esposito, Ryan Fortenberry, Christiaan Boersma, Lou Allamandola

Harmonic frequencies for benzene computed with CCSD(T)-F12b and B3LYP, anharmonic vibrational frequencies for naphthalene using 3-quanta VPT2, and the mode numbering, symmetry, and frequencies for the fundamental vibrations of naphthalene.

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Spectroscopy

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