Structure-reactivity relationships for aromatic molecules: electrostatic potentials at nuclei and electrophile affinity indices

Recent advances have been achieved in the quantitative description of the reactivity of aromatic compounds in terms of simple parameters derived from theoretical computations. The first part of this review surveys the use of electrostatic potentials at nuclei (EPN) in characterizing the reactivity o...

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Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science 2013-01, Vol.3 (1), p.37-55
Hauptverfasser:	Galabov, Boris, Ilieva, Sonia, Koleva, Gergana, Allen, Wesley D., Schaefer III, Henry F., von R. Schleyer, Paul
Format:	Artikel
Sprache:	eng
Schlagworte:	Affinity Aromatic compounds Atomic structure Constants Molecular structure Nuclei Nuclei (nuclear physics) Nucleus Reactivity Substitution reactions Surveys
Online-Zugang:	Volltext
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