Quantification of Aromaticity Based on Interaction Coordinates: A New Proposal

Attempts to establish degrees of aromaticity in molecules are legion. In the present study, we begin with a fictitious fragment arising from only those atoms contributing to the aromatic ring and having a force field projected from the original system. For example, in benzene, we adopt a fictitious...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (18), p.2894-2901
Hauptverfasser:	Pandey, Sarvesh Kumar, Manogaran, Dhivya, Manogaran, Sadasivam, Schaefer, Henry F
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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