Density Functional Theory : Recent Advances, New Perspectives and Applications

Language: English

Published by Intechopen, 2022

1839698454 / 9781839698453

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Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH

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nach der Bestellung gedruckt Neuware - Printed after ordering - 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.

Seller Inventory # 9781839698453

Title
Density Functional Theory : Recent Advances, New Perspectives and Applications
Author
Daniel Glossman-Mitnik
Publisher
Intechopen
Publication year
2022
Condition
Neu
Binding
Buch
Language
English
ISBN 10
1839698454
ISBN 13
9781839698453
Item weight
926 grams
Dimensions
266x185x27 mm

AHA-BUCH GmbH

Einbeck, Germany

5-star seller

AbeBooks seller since August 14, 2006

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