Density Functional Theory: Recent Advances, New Perspectives and Applications - Couverture rigide

 
9781839698453: Density Functional Theory: Recent Advances, New Perspectives and Applications
Couverture rigide
ISBN 10 : 1839698454 ISBN 13 : 9781839698453
Editeur : IntechOpen, 2022

Synopsis

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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Éditeur
IntechOpen
Date d'édition
2022
Langue
anglais
ISBN 10 
1839698454
ISBN 13 
9781839698453
Reliure
Relié
Nombre de pages
330
Éditeur
Glossman-Mitnik Daniel
Coordonnées du fabricant
Buchpark GmbH
https://www.buchpark.de

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Trebbin
Brandenburg
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Allemagne