2021-03-232010-03-151661280WOS;000275587600020SCOPUS;2-s2.0-76349110979http://hdl.handle.net/10784/27128The Density Functional Theory of chemical reactivity has provided and effective way to develop a mathematical framework for many empirical chemical concepts. In this work, the relation of some of the proposed indexes with the thermodynamic and kinetic effects on a chemical reaction will be discussed. In order to give a numerical support to the discussion, families of SN2 reactions and Diels-Alder reactions have been studied. It is concluded that the theoretical proposed indexes represent neither thermodynamic nor kinetic effects but a combination of both depending on the type of reaction. © 2009 Elsevier B.V. All rights reserved.enghttps://v2.sherpa.ac.uk/id/publication/issn/0166-1280articleDFT reactivityKinetic effectThermodynamics effect2021-03-23Fuentealba, PatricioDavid, JorgeGuerra, Doris10.1016/j.theochem.2009.11.014