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Application of Quantum-chemical Methods to the Diels–Alder Reaction

The quantum-chemical reactivity indices, used to estimate the relative reactivities of dienes and dienophiles in the Diels–Alder reaction, are analysed and certain problems associated with the use of quantum-chemical methods for the interpretation of cycloaddition selectivity, the reaction mechanism, and the influence of catalysts are discussed. The bibliography includes 118 references.