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Книга Density Functional Theory Daniel Glossman-Mitnik

Density Functional Theory

Автор: Daniel Glossman-Mitnik
Език: Английски език
Корици: С твърди корици
Издател: IntechOpen
Наличност: Външен склад
Изпращаме след 10-13 дни
141.62 € 276.99 лв
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecu...

Информация за книгата

Автор
Daniel Glossman-Mitnik
Език
Английски език
Корици
Книга - С твърди корици
Издадена
2022
страници
330
EAN
9781839698453
ISBN
1839698454
Enbook ID
39258373
Издател
IntechOpen
Теглоt
926
Размери
180 x 260 x 27

Пълно описание

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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