Functional groups, determination kinetic method

This topic has been reviewed in The Chemistry of the Functional Groups series published in 19821. It is not the purpose of this chapter to provide a complete literature review. Rather, this chapter will discuss some of the new methods of measuring and interpreting kinetic isotope effects that have been used to determine the mechanisms of the reactions of amines and amine derivatives. 

An important application of kinetic methods is in the determination of closely related species in mixtures, such as alkaline earth cations or organic compounds with the same functional groups. For example, suppose two species A and B react with a common excess reagent to form products under pseudo-fir.st-order conditions ... 

In chapter 2, computational methods used for the determination of thermodynamic data of the compound, and the kinetic calculations performed in this work are presented. We give a brief review of the computational methods ab initio, and Density Functional Theory, Statistical Mechanics methods. Group Additivity method, and multifrequency Quantum Rice-Ramsperger-Kassel (QRRK). 

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