On the three-center orbital projection formalism within the electron density of delocalized bonds method
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DOI: 10.1016/j.comptc.2016.12.003
Abstract: Abstract A new development of the Electron Density of Delocalized Bonds formalism (EDDB) is proposed that provides marked improvement in the description of electron delocalization in aromatic rings. Special attention is paid to charged aromatic… read more here.
Keywords: three center; density delocalized; delocalized bonds; electron ... See more keywords