Density Functional Theory

Language: English

Published by Intechopen Jan 2019, 2019

178985167X / 9781789851670

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This item is printed on demand - Print on Demand Titel. Neuware -Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but also provides interesting concepts that allow a better comprehension of the chemical reactivity of the studied systems. This book represents an attempt to present examples on the utility of DFT for the understanding of the chemical reactivity through descriptors that constitute the basis of the so called Conceptual DFT (sometimes also named as Chemical Reactivity Theory) 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 and industrial interest.Books on Demand GmbH, Überseering 33, 22297 Hamburg 166 pp. Englisch.

Seller Inventory # 9781789851670

Title
Density Functional Theory
Author
Daniel Glossman-Mitnik
Publisher
Intechopen Jan 2019
Publication year
2019
Condition
Neu
Binding
Buch
Language
English
ISBN 10
178985167X
ISBN 13
9781789851670
Item weight
579 grams
Dimensions
266x185x16 mm

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

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AbeBooks seller since January 23, 2017

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