On the Topolog'ical Resonance Energ·y of Heteroconjugated Molecules
نویسنده
چکیده
Topological resonance energy (TRE) is a theoretical index which was discovered a few years ago1,2 and which can be used for describing the aromaticity and related properties of conjugated n-electron systems. Although the TRE method has limitations and fails in the case of some conjugated radicals and ions3, for a large number of systems of interest in chemistry (i. e. singlet ground state molecules for which at least one Kekule structural formula can be written), the agreement between the predictions based on TRE and the experimental findings is quite good4 .
منابع مشابه
Topological Studies on Heteroconjugated Molecules. VI. Alternant Systems with Two Heteroatoms
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
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