| Literature DB >> 19132846 |
Anirban Misra1, D J Klein, T Morikawa.
Abstract
Eric Clar's ideas concerning "aromatic sextets" are extended to a quantitative format in terms of a polynomial called the "Clar 2-nomial", along with related derivative quantities. The quantification is successfully tested to make correlations with a selection of numerical data, including resonance energies, bond lengths, and NICS ring-aromaticity values.Year: 2009 PMID： 19132846 DOI： 10.1021/jp8038797
Source DB: PubMed Journal: J Phys Chem A ISSN： 1089-5639 Impact factor: 2.781