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Carte Density Functional Theory Daniel Glossman-Mitnik

Density Functional Theory

Autor: Daniel Glossman-Mitnik
Limbă: engleză
Legare: Copertă tare
Editura: IntechOpen
Disponibilitate: În depozitul extern
Expediem în 10-13 zile
743.34 lei
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecu...

Informații despre carte

Autor
Daniel Glossman-Mitnik
Limbă
engleză
Legare
Carte - Copertă tare
Publicat
2022
Pagini
330
EAN
9781839698453
ISBN
1839698454
Enbook ID
39258373
Editura
IntechOpen
Greutate
926
Dimensiuni
180 x 260 x 27

Descriere completă

Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.

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