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SHS investigation development is considered from the geographical and historical viewpoint. 3 stages are described. Within Stage 1 the work was carried out in the Department of the Institute of Chemical Physics in Chernogolovka where the scientific discovery had been made. At Stage 2 the interest to SHS arose in different cities and towns of the former USSR. Within Stage 3 SHS entered the international scene. Now SHS processes and products are being studied in more than 50 countries.
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.
Keywords:
Density Functional Theory (DFT), chemical reactivity, electronegativity, chemical potential, chemical hardness, chemical softness, polarizability, electrophilicity index, Fukui function, local softness, local hardness, philicity, electronegativity equalization principle, HSAB principle, maximum hardness principle, minimum polarizability principle, minimum electrophilicity principle, minimum magnetizability principle, electrophilicity equalization principle, Quantum Fluid Dynamics (QFD), Time Dependent Density Functional Theory (TDDFT), Quantum Fluid Density Functional Theory (QFDFT).
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Authors:Bentham Science Books