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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?

Robert Ponec1, David L Cooper2, Peter B Karadakov3

  • 1Institute of Chemical Process Fundamentals, Czech Academy of Sciences, 165 02 Prague 6, Suchdol 2, Czech Republic.

Molecules (Basel, Switzerland)
|October 22, 2020
PubMed

Keywords:
excited-state aromaticity reversalsmagnetic properties of excited statesmolecular similaritymulticentre bond indices

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