Quantum Chemical Approach for Organic Ferromagnetic Material Design

Language: English

Published by Springer, Palgrave Macmillan Jan 2017, 2017

3319498274 / 9783319498270

Series: Book 128 of 220 - SpringerBriefs in Molecular Science

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This item is printed on demand - Print on Demand Titel. Neuware -This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Hückel to ab initio levels of theory. Most of the content describes the authors' approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.Springer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 156 pp. Englisch.

Seller Inventory # 9783319498270

Title
Quantum Chemical Approach for Organic Ferromagnetic Material Design
Author
Yuriko Aoki
Publisher
Springer, Palgrave Macmillan Jan 2017
Publication year
2017
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
3319498274
ISBN 13
9783319498270
Item weight
248 grams
Dimensions
235x155x9 mm
Series
Book 128 of 220: SpringerBriefs in Molecular Science

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

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