Chapter 9

Conceptual Density Functional Theory of Chemical Reactivity

Pratim K. Chattaraj and Debesh R. Roy

Abstract

A rudimentary treatment of density functional theory (DFT) is presented in this article. Various global and local reactivity descriptors are defined within the broad framework of conceptual DFT. A theory of chemical reactivity is developed in terms of these descriptors and the associated electronic structure principles.

Total Pages: 196-221 (26)

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