Quantum Chemistry of Organic Compounds: Mechanisms of Reactions

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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  • Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. K
  • Format: Hardback | 285 pages
  • Dimensions: 230mm 565g
  • Publication date: 16 November 1990
  • Publication City/Country: Berlin
  • ISBN 10: 3540525300
  • ISBN 13: 9783540525301
  • Illustrations note: 66 figures, 35 tables, 262 schemes

Product description

This 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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