Quantum Chemistry of Organic Compounds
Subtitle: Mechanisms of Reactions
By: by Vladimir I. Minkin, Boris Ya. Simkin, Ruslan M. Minyaev
Contributors: Simkin, B. I͡A. (Boris I͡Akovlevich); Minyaev, Ruslan M.
Publisher: Springer Berlin Heidelberg
Published: 1990
Place of publication: Berlin, Heidelberg
Language: eng
Format: [electronic resource] :
Number of pages: 270
ISBN-13: 9783642756818; 9783642756795
Subjects: Organic Chemistry; Mathematics; Engineering; Chemistry; Quantum theory
Description: This textbook on the application of ab initio and semiempirical 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 focussed 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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