Aromatic stabilization energies in excited states at the multiconfigurational level: assessment in archetypal organic rings
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DOI: 10.1039/d4ra05147e
Abstract: In this study, the excited state (anti)aromaticity of archetypal rings: benzene, cyclobutadiene, and cyclooctatetraene, was investigated using the energetic criterion by calculating aromatic stabilization energies. Calculations were performed at the multiconfigurational level, including dynamic correlation… read more here.
Keywords: stabilization energies; aromatic stabilization; multiconfigurational level; excited states ... See more keywords