• Quantum Chemistry of Organic Compounds: Mechanisms of Reactions See large image

    Quantum Chemistry of Organic Compounds: Mechanisms of Reactions (Hardback) By (author) V. I. Minkin, By (author) Etc., By (author) B. Ya, By (author) R.M. Simkin, By (author) R.M. Minyaev, Foreword by Roald Hoffman


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    DescriptionThis textbook on the application of ab initio and semi-empirical techniques for the analysis of organic reaction mechanisms is designed for chemistry undergraduates. The material is presented according to the mechanistic types: nucleophilic and electrophilic substitution, addition reactions, radical, pericyclic, proton and electron transfer reactions. Orbital and electrostatic models are used for structural correlations of interacting molecular systems along the reaction paths. Particular attention is focused on the characteristics of the transition state. The text combines phenomenology with the basic theoretical principles needed to understand and predict chemical reactivity.

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