Abstract
Configuration analysis (CA) allows the straightforward derivation of electronic state correlation diagrams and the critical examination of the appropriateness of simple “molecules-in-molecule” approaches. The formerly thoroughly investigated fluoranthene is taken as an example. The advantage of composite-molecule approach is demonstrated by the use of energy spectra of fluoranthene analogues.
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Fabian, J., Scholz, M. On the appropriateness of “molecules-in-molecule” models in describing of π-electronic states of composed aromatic systems. Theoret. Chim. Acta 59, 117–125 (1981). https://doi.org/10.1007/BF00552535
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DOI: https://doi.org/10.1007/BF00552535