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On the Use of Aromaticity Rules, Frontier Orbitals and Correlations Diagrams. Some Difficulties and Unsolved Problems

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Quantum Theory of Chemical Reactions

Part of the book series: Quantum Theory of Chemical Reactions ((QTCR,volume 1))

Abstract

The most usual difficulties encountered in the study of frontier-controlled reactions by approximate methods (aromaticity rules, frontier-orbital approximation and correlation diagram) are reviewed.

Since the discovery of the Woodward-Hoffmann rules [1], three approximate theoretical methods [1–4] have been extensively used by chemists for the study of chemical reactivity. These methods are based on the aromaticity rules [2], on the frontier orbital approximation [3], and on correlation diagrams [1]. The application of these methods, usually very simple, may sometimes presents serious difficulties. This paper is concerned with such cases.

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Author information

Authors and Affiliations

  1. Laboratoire de Chimie Théorique, Université de Paris-Sud (490), 91405, Orsay, France

    Nguyen Trong Anh

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  1. Nguyen Trong Anh
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Editor information

Editors and Affiliations

  1. CNRS, Centre de Mécanique Ondulatoire Appliquée, Paris, France

    Raymond Daudel

  2. CNRS, Institut de Biologie Physico-Chimique, Paris, France

    Alberte Pullman

  3. CNRS, Laboratoire de Chimie Théorique, Université de Paris Sud, Orsay, France

    Lionel Salem

  4. CNRS, Université Louis Pasteur, Strasbourg, France

    Alain Veillard

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© 1979 D. Reidel Publishing Company

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Anh, N.T. (1979). On the Use of Aromaticity Rules, Frontier Orbitals and Correlations Diagrams. Some Difficulties and Unsolved Problems. In: Daudel, R., Pullman, A., Salem, L., Veillard, A. (eds) Quantum Theory of Chemical Reactions. Quantum Theory of Chemical Reactions, vol 1. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9516-1_8

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  • DOI: https://doi.org/10.1007/978-94-009-9516-1_8

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-009-9518-5

  • Online ISBN: 978-94-009-9516-1

  • eBook Packages: Springer Book Archive

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