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Density Functional Theory

Name: Density Functional Theory
Brand: IntechOpen
SKU: 9781839698453
Price: 133.5 EUR
Availability: InStock

Autor: Daniel Glossman-Mitnik

Jazyk:

Väzba: Pevná

Vydavateľ: IntechOpen

Dostupnosť: Skladom u dodávateľa

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133.50 €

Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecu...

Informácie o knihe

Autor

Daniel Glossman-Mitnik

Jazyk

Angličtina

Väzba

Kniha - Pevná

Vydalo

2022

Stránok

330

EAN

9781839698453

ISBN

1839698454

Enbook ID

39258373

Vydavateľ

IntechOpen

Hmotnosť

926

Rozmery

180 x 260 x 27

Kompletný popis

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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